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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(5-methyl-4-phenyl-thiophen-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chlorophenyl)methylsulfanyl]-5-(5-methyl-4-phenyl-3-thienyl)-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(5-methyl-4-phenyl-3-thiophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(5-methyl-4-phenylthiophen-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chlorobenzyl)thio]-5-(5-methyl-4-phenyl-3-thienyl)-1,2,4-triazole Formula: C23H20ClN3S2 MolecularWeight: 438.008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CS1)C2=NN=C(N2CC=C)SCC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CS1)C2=NN=C(N2CC=C)SCC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H20ClN3S2/c1-3-13-27-22(19-15-28-16(2)21(19)17-9-5-4-6-10-17)25-26-23(27)29-14-18-11-7-8-12-20(18)24/h3-12,15H,1,13-14H2,2H3