(2Z)-2-[4-[hydroxymethyl(2-thiophen-2-ylethyl)amino]-2-oxidanylidene-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile

Systemtic Name: (2Z)-2-[4-[hydroxymethyl(2-thiophen-2-ylethyl)amino]-2-oxidanylidene-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile Openeye Name: (2Z)-2-[4-[hydroxymethyl-[2-(2-thienyl)ethyl]amino]-2-oxo-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile CAS Name: (2Z)-2-[4-[hydroxymethyl(2-thiophen-2-ylethyl)amino]-2-oxo-3-pyridinylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile IUPAC Name: (2Z)-2-[4-[hydroxymethyl(2-thiophen-2-ylethyl)amino]-2-oxopyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile Traditional Name: (2Z)-2-[2-keto-4-[methylol-[2-(2-thienyl)ethyl]amino]-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonitrile Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C#N)NC(=C3C(=CC=NC3=O)N(CCC4=CC=CS4)CO)N2

Isomeric SMILES

CC1=C2C(=CC(=C1)C#N)N/C(=C/3\C(=CC=NC3=O)N(CCC4=CC=CS4)CO)/N2

InChI

InChI=1S/C21H19N5O2S/c1-13-9-14(11-22)10-16-19(13)25-20(24-16)18-17(4-6-23-21(18)28)26(12-27)7-5-15-3-2-8-29-15/h2-4,6,8-10,24-25,27H,5,7,12H2,1H3/b20-18-