3-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C)C3=CC=CS3

InChI

InChI=1S/C16H17N3S2/c1-11-6-7-12(2)13(9-11)10-21-16-18-17-15(19(16)3)14-5-4-8-20-14/h4-9H,10H2,1-3H3