2-azanyl-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[4-(1-benzimidazolylmethyl)-2-thiophenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-5-keto-1-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C28H22N6O3S MolecularWeight: 522.57768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)C1

InChI

InChI=1S/C28H22N6O3S/c29-13-20-26(25-11-17(15-38-25)14-32-16-31-21-7-1-2-8-22(21)32)27-23(9-4-10-24(27)35)33(28(20)30)18-5-3-6-19(12-18)34(36)37/h1-3,5-8,11-12,15-16,26H,4,9-10,14,30H2