1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline

Systemtic Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline Openeye Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline CAS Name: 1-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-3,3-dimethyl-4H-isoquinoline IUPAC Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline Traditional Name: 1-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-3,3-dimethyl-4H-isoquinoline Formula: C27H24N4S MolecularWeight: 436.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H24N4S/c1-27(2)17-21-15-9-10-16-22(21)23(29-27)18-32-26-28-24(19-11-5-3-6-12-19)25(30-31-26)20-13-7-4-8-14-20/h3-16H,17-18H2,1-2H3