4-(4-methylphenyl)-3-[(4-pentylcyclohexyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-methylphenyl)-3-[(4-pentylcyclohexyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-pentylcyclohexyl)methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methylphenyl)-3-[(4-pentylcyclohexyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methylphenyl)-3-[(4-pentylcyclohexyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-amylcyclohexyl)methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C21H31N3S MolecularWeight: 357.55594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CC2=NNC(=S)N2C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC1CCC(CC1)CC2=NNC(=S)N2C3=CC=C(C=C3)C

InChI

InChI=1S/C21H31N3S/c1-3-4-5-6-17-9-11-18(12-10-17)15-20-22-23-21(25)24(20)19-13-7-16(2)8-14-19/h7-8,13-14,17-18H,3-6,9-12,15H2,1-2H3,(H,23,25)