3-[(3-chlorophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(4,5-dimethyl-3-thienyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-5-(4,5-dimethyl-3-thiophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-5-(4,5-dimethyl-3-thienyl)-4-methyl-1,2,4-triazole Formula: C16H16ClN3S2 MolecularWeight: 349.90134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1C2=NN=C(N2C)SCC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(SC=C1C2=NN=C(N2C)SCC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C16H16ClN3S2/c1-10-11(2)21-9-14(10)15-18-19-16(20(15)3)22-8-12-5-4-6-13(17)7-12/h4-7,9H,8H2,1-3H3