4-methyl-3-[(2-methylphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(2-methylphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-(o-tolylmethylsulfanyl)-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(2-methylphenyl)methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(2-methylphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(2-methylbenzyl)thio]-5-(2-thenyl)-1,2,4-triazole Formula: C16H17N3S2 MolecularWeight: 315.45628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C)CC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C)CC3=CC=CS3

InChI

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