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

Systemtic Name: 3-azanyl-2-[(2R)-2-oxidanylpropyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-[(2R)-2-hydroxypropyl]-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-[(2R)-2-hydroxypropyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-[(2R)-2-hydroxypropyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-[(2R)-2-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:

CC(CN1C(=C(C2=C(C1=S)CCCC2)C#N)N)O

Isomeric SMILES

C[C@H](CN1C(=C(C2=C(C1=S)CCCC2)C#N)N)O

InChI

InChI=1S/C13H17N3OS/c1-8(17)7-16-12(15)11(6-14)9-4-2-3-5-10(9)13(16)18/h8,17H,2-5,7,15H2,1H3/t8-/m1/s1