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

Systemtic Name: 2-[(E)-azepan-1-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-azepan-1-ylmethyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-1-azepanylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-azepan-1-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-azepan-1-ylmethyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C=NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

C1CCCN(CC1)/C=N/C2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H21N3S/c17-11-14-13-7-3-4-8-15(13)20-16(14)18-12-19-9-5-1-2-6-10-19/h12H,1-10H2/b18-12+