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

Systemtic Name: 3-azanyl-2-(3-oxidanylpropyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(3-hydroxypropyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-(3-hydroxypropyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-(3-hydroxypropyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(3-hydroxypropyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(N(C2=S)CCCO)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(N(C2=S)CCCO)N)C#N

InChI

InChI=1S/C13H17N3OS/c14-8-11-9-4-1-2-5-10(9)13(18)16(12(11)15)6-3-7-17/h17H,1-7,15H2