2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C14H17N5OS MolecularWeight: 303.38268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C14H17N5OS/c1-10-16-17-14(19(10)15)21-9-13(20)18-7-6-11-4-2-3-5-12(11)8-18/h2-5H,6-9,15H2,1H3