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

Systemtic Name: 3-azanyl-2-(3-methoxyphenyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(3-methoxyphenyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-(3-methoxyphenyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-(3-methoxyphenyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(3-methoxyphenyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=C(C3=C(C2=S)CCCC3)C#N)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=C(C3=C(C2=S)CCCC3)C#N)N

InChI

InChI=1S/C17H17N3OS/c1-21-12-6-4-5-11(9-12)20-16(19)15(10-18)13-7-2-3-8-14(13)17(20)22/h4-6,9H,2-3,7-8,19H2,1H3