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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-chlorophenyl)methylsulfanyl]-5-(4,5-dimethyl-3-thienyl)-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-5-(4,5-dimethyl-3-thiophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-chlorobenzyl)thio]-5-(4,5-dimethyl-3-thienyl)-1,2,4-triazole Formula: C18H18ClN3S2 MolecularWeight: 375.93862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(SC=C1C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C18H18ClN3S2/c1-4-8-22-17(16-11-23-13(3)12(16)2)20-21-18(22)24-10-14-6-5-7-15(19)9-14/h4-7,9,11H,1,8,10H2,2-3H3