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

Systemtic Name: 4-[(4-methylphenyl)methyl]-3-(5-propan-2-ylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(5-isopropyl-3-thienyl)-4-(p-tolylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-methylphenyl)methyl]-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-methylphenyl)methyl]-3-(5-propan-2-ylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(5-isopropyl-3-thienyl)-4-(4-methylbenzyl)-1H-1,2,4-triazole-5-thione Formula: C17H19N3S2 MolecularWeight: 329.48286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NNC2=S)C3=CSC(=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NNC2=S)C3=CSC(=C3)C(C)C

InChI

InChI=1S/C17H19N3S2/c1-11(2)15-8-14(10-22-15)16-18-19-17(21)20(16)9-13-6-4-12(3)5-7-13/h4-8,10-11H,9H2,1-3H3,(H,19,21)