3-phenyl-1-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-phenyl-1-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-phenyl-1-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-phenyl-1-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H20N6S MolecularWeight: 484.5743

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C=CCN1C(=NN=C1SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H20N6S/c1-2-17-34-27(21-13-7-4-8-14-21)32-33-29(34)36-26-18-22(20-11-5-3-6-12-20)23(19-30)28-31-24-15-9-10-16-25(24)35(26)28/h2-16,18H,1,17H2