2-[(E)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(E)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(3-nitrophenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(3-nitrobenzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)/N=C/C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N3O2S/c17-9-14-13-6-1-2-7-15(13)22-16(14)18-10-11-4-3-5-12(8-11)19(20)21/h3-5,8,10H,1-2,6-7H2/b18-10+