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

Systemtic Name: 2-[(E)-(2-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(2-nitrophenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(2-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(2-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(2-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/c17-9-13-12-6-2-4-8-15(12)22-16(13)18-10-11-5-1-3-7-14(11)19(20)21/h1,3,5,7,10H,2,4,6,8H2/b18-10+