5-[(2-methylphenyl)methyl]-3-[(5-methylthiophen-2-yl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(2-methylphenyl)methyl]-3-[(5-methylthiophen-2-yl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 3-[(5-methyl-2-thienyl)methylsulfanyl]-5-(o-tolylmethyl)-1H-1,2,4-triazole CAS Name: 5-[(2-methylphenyl)methyl]-3-[(5-methyl-2-thiophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(2-methylphenyl)methyl]-3-[(5-methylthiophen-2-yl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-methylbenzyl)-3-[(5-methyl-2-thienyl)methylthio]-1H-1,2,4-triazole Formula: C16H17N3S2 MolecularWeight: 315.45628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=NC(=NN2)SCC3=CC=C(S3)C

Isomeric SMILES

CC1=CC=CC=C1CC2=NC(=NN2)SCC3=CC=C(S3)C

InChI

InChI=1S/C16H17N3S2/c1-11-5-3-4-6-13(11)9-15-17-16(19-18-15)20-10-14-8-7-12(2)21-14/h3-8H,9-10H2,1-2H3,(H,17,18,19)