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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(4-ethyl-5-methyl-thiophen-3-yl)-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(4-ethyl-5-methyl-3-thienyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-ethyl-5-(4-ethyl-5-methyl-3-thiophenyl)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(4-ethyl-5-methylthiophen-3-yl)-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-ethyl-5-(4-ethyl-5-methyl-3-thienyl)-1,2,4-triazole Formula: C18H20ClN3S2 MolecularWeight: 377.9545

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C2=NN=C(N2CC)SCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC1=C(SC=C1C2=NN=C(N2CC)SCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H20ClN3S2/c1-4-15-12(3)23-11-16(15)17-20-21-18(22(17)5-2)24-10-13-6-8-14(19)9-7-13/h6-9,11H,4-5,10H2,1-3H3