1-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(4-cyano-3-methyl-1-oxo-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(o-tolyl)thiourea CAS Name: 1-[(4-cyano-3-methyl-1-oxo-2-pyrido[1,2-a]benzimidazolylidene)methylamino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(4-cyano-1-keto-3-methyl-pyrido[1,2-a]benzimidazol-2-ylidene)methylamino]-3-(o-tolyl)thiourea Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC=C2C(=C(C3=NC4=CC=CC=C4N3C2=O)C#N)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC=C2C(=C(C3=NC4=CC=CC=C4N3C2=O)C#N)C

InChI

InChI=1S/C22H18N6OS/c1-13-7-3-4-8-17(13)26-22(30)27-24-12-16-14(2)15(11-23)20-25-18-9-5-6-10-19(18)28(20)21(16)29/h3-10,12,24H,1-2H3,(H2,26,27,30)