cyanomethyl 5-[5-[[1,3-bis(2-methylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: cyanomethyl 5-[5-[[1,3-bis(2-methylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: cyanomethyl 5-[5-[[1,3-bis(o-tolyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-[[1,3-bis(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-furanyl]-2-chlorobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-[5-[[1,3-bis(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 2-chloro-5-[5-[[4,6-diketo-1,3-bis(o-tolyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid cyanomethyl ester Formula: C32H22ClN3O5S MolecularWeight: 596.05218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)OCC#N)C(=O)N(C2=S)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)OCC#N)C(=O)N(C2=S)C5=CC=CC=C5C

InChI

InChI=1S/C32H22ClN3O5S/c1-19-7-3-5-9-26(19)35-29(37)24(30(38)36(32(35)42)27-10-6-4-8-20(27)2)18-22-12-14-28(41-22)21-11-13-25(33)23(17-21)31(39)40-16-15-34/h3-14,17-18H,16H2,1-2H3