2-[3-[[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanenitrile

Systemtic Name: 2-[3-[[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanenitrile Openeye Name: 2-[3-[(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]indol-1-yl]acetonitrile CAS Name: 2-[3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1-indolyl]acetonitrile IUPAC Name: 2-[3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetonitrile Traditional Name: 2-[3-[(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]indol-1-yl]acetonitrile Formula: C21H14N4O2S MolecularWeight: 386.42646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC#N)C(=O)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC#N)C(=O)NC2=S

InChI

InChI=1S/C21H14N4O2S/c22-10-11-24-13-14(16-8-4-5-9-18(16)24)12-17-19(26)23-21(28)25(20(17)27)15-6-2-1-3-7-15/h1-9,12-13H,11H2,(H,23,26,28)