1-(4-methylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)phthalazine

Systemtic Name: 1-(4-methylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)phthalazine Openeye Name: 1-(p-tolyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)phthalazine CAS Name: 1-(4-methylphenyl)-4-(1H-1,2,4-triazol-5-ylthio)phthalazine IUPAC Name: 1-(4-methylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)phthalazine Traditional Name: 1-(p-tolyl)-4-(1H-1,2,4-triazol-5-ylthio)phthalazine Formula: C17H13N5S MolecularWeight: 319.38362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC=NN4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC=NN4

InChI

InChI=1S/C17H13N5S/c1-11-6-8-12(9-7-11)15-13-4-2-3-5-14(13)16(21-20-15)23-17-18-10-19-22-17/h2-10H,1H3,(H,18,19,22)