(4Z)-4-(azanylmethylidene)-1-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinolin-3-one

Systemtic Name: (4Z)-4-(azanylmethylidene)-1-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinolin-3-one Openeye Name: (4Z)-4-(aminomethylene)-1-(3-pyridylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinolin-3-one CAS Name: (4Z)-4-(aminomethylidene)-1-(3-pyridinylmethylthio)-5,6,7,8-tetrahydroisoquinolin-3-one IUPAC Name: (4Z)-4-(aminomethylidene)-1-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinolin-3-one Traditional Name: (4Z)-4-(aminomethylene)-1-(3-pyridylmethylthio)-5,6,7,8-tetrahydroisoquinolin-3-one Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CN)C(=O)N=C2SCC3=CN=CC=C3

Isomeric SMILES

C1CCC2=C(C1)/C(=C/N)/C(=O)N=C2SCC3=CN=CC=C3

InChI

InChI=1S/C16H17N3OS/c17-8-14-12-5-1-2-6-13(12)16(19-15(14)20)21-10-11-4-3-7-18-9-11/h3-4,7-9H,1-2,5-6,10,17H2/b14-8-