2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(4-chlorophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(4-chlorophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H14ClN3OS2 MolecularWeight: 411.92766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C20H14ClN3OS2/c21-15-8-10-16(11-9-15)24-19(18-7-4-12-26-18)22-23-20(24)27-13-17(25)14-5-2-1-3-6-14/h1-12H,13H2