3-(isoquinolin-1-ylmethylsulfanyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(isoquinolin-1-ylmethylsulfanyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-(1-isoquinolylmethylsulfanyl)-2H-1,2,4-triazin-5-one CAS Name: 3-(1-isoquinolinylmethylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 3-(isoquinolin-1-ylmethylsulfanyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(1-isoquinolylmethylthio)-2H-1,2,4-triazin-5-one Formula: C13H10N4OS MolecularWeight: 270.3097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CSC3=NC(=O)C=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CSC3=NC(=O)C=NN3

InChI

InChI=1S/C13H10N4OS/c18-12-7-15-17-13(16-12)19-8-11-10-4-2-1-3-9(10)5-6-14-11/h1-7H,8H2,(H,16,17,18)