3-azanyl-2-(4-ethanoylphenyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(4-ethanoylphenyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 2-(4-acetylphenyl)-3-amino-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 2-(4-acetylphenyl)-3-amino-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 2-(4-acetylphenyl)-3-amino-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 2-(4-acetylphenyl)-3-amino-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=C(C3=C(C2=S)CCCC3)C#N)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=C(C3=C(C2=S)CCCC3)C#N)N

InChI

InChI=1S/C18H17N3OS/c1-11(22)12-6-8-13(9-7-12)21-17(20)16(10-19)14-4-2-3-5-15(14)18(21)23/h6-9H,2-5,20H2,1H3