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

Systemtic Name: 3-azanyl-2-(phenylcarbonyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-benzoyl-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-benzoyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-benzoyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-benzoyl-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(N(C2=S)C(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(N(C2=S)C(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C17H15N3OS/c18-10-14-12-8-4-5-9-13(12)17(22)20(15(14)19)16(21)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9,19H2