(4Z)-4-(azanylmethylidene)-1-(pyridin-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinolin-3-one

Systemtic Name: (4Z)-4-(azanylmethylidene)-1-(pyridin-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinolin-3-one Openeye Name: (4Z)-4-(aminomethylene)-1-(2-pyridylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinolin-3-one CAS Name: (4Z)-4-(aminomethylidene)-1-(2-pyridinylmethylthio)-5,6,7,8-tetrahydroisoquinolin-3-one IUPAC Name: (4Z)-4-(aminomethylidene)-1-(pyridin-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinolin-3-one Traditional Name: (4Z)-4-(aminomethylene)-1-(2-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=CC=CC=N3

Isomeric SMILES

C1CCC2=C(C1)/C(=C/N)/C(=O)N=C2SCC3=CC=CC=N3

InChI

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