4-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile

Systemtic Name: 4-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile Openeye Name: 2-[(benzylamino)-hydroxy-methylene]-4-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 4-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]-2-[hydroxy-[(phenylmethyl)amino]methylidene]-3-oxobutanenitrile IUPAC Name: 2-[(benzylamino)-hydroxymethylidene]-4-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 3-(benzylamino)-3-hydroxy-2-[2-[(1-p-phenetylbenzimidazol-2-yl)thio]acetyl]acrylonitrile Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)C(=C(NCC4=CC=CC=C4)O)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)C(=C(NCC4=CC=CC=C4)O)C#N

InChI

InChI=1S/C27H24N4O3S/c1-2-34-21-14-12-20(13-15-21)31-24-11-7-6-10-23(24)30-27(31)35-18-25(32)22(16-28)26(33)29-17-19-8-4-3-5-9-19/h3-15,29,33H,2,17-18H2,1H3