5-[(2-methylphenyl)methyl]-3-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(2-methylphenyl)methyl]-3-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(o-tolylmethyl)-3-(3-thienylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-[(2-methylphenyl)methyl]-3-(3-thiophenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(2-methylphenyl)methyl]-3-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(2-methylbenzyl)-3-(3-thenylthio)-1H-1,2,4-triazole Formula: C15H15N3S2 MolecularWeight: 301.4297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=NC(=NN2)SCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CC2=NC(=NN2)SCC3=CSC=C3

InChI

InChI=1S/C15H15N3S2/c1-11-4-2-3-5-13(11)8-14-16-15(18-17-14)20-10-12-6-7-19-9-12/h2-7,9H,8,10H2,1H3,(H,16,17,18)