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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C)CC3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C)CC3=CSC=C3

InChI

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