3-[(3,5-dimethylphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-5-(2-thienylmethyl)-1H-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-5-(2-thenyl)-1H-1,2,4-triazole Formula: C16H17N3S2 MolecularWeight: 315.45628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NNC(=N2)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NNC(=N2)CC3=CC=CS3)C

InChI

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