1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propan-1-one Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4OS/c1-19(26(32)31-17-16-20-10-8-9-15-23(20)18-31)33-27-28-24(21-11-4-2-5-12-21)25(29-30-27)22-13-6-3-7-14-22/h2-15,19H,16-18H2,1H3