2-[4-[[6-[(2,2-dicyano-1-methylsulfanyl-ethenyl)amino]-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[6-[(2,2-dicyano-1-methylsulfanyl-ethenyl)amino]-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[6-[(2,2-dicyano-1-methylsulfanyl-vinyl)amino]-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-[[2,2-dicyano-1-(methylthio)ethenyl]amino]-4-methyl-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[6-[(2,2-dicyano-1-methylsulfanylethenyl)amino]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-[[2,2-dicyano-1-(methylthio)vinyl]amino]-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Formula: C30H26N5O2S- MolecularWeight: 520.62474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=C(C=C2C)NC(=C(C#N)C#N)SC

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=C(C=C2C)NC(=C(C#N)C#N)SC

InChI

InChI=1S/C30H27N5O2S/c1-4-7-27-34-28-19(2)14-23(33-29(38-3)22(16-31)17-32)15-26(28)35(27)18-20-10-12-21(13-11-20)24-8-5-6-9-25(24)30(36)37/h5-6,8-15,33H,4,7,18H2,1-3H3,(H,36,37)/p-1