1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=NN(C(=C3)C)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=NN(C(=C3)C)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2S/c1-13-9-21(28)29-19-11-17(7-8-18(13)19)24-22(30)25-20-10-14(2)27(26-20)12-15-3-5-16(23)6-4-15/h3-11H,12H2,1-2H3,(H2,24,25,26,30)