N-(2,4-dichlorophenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,4-dichlorophenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,4-dichlorophenyl)-2-[[5-(3-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,4-dichlorophenyl)-2-[[5-(3-pyridinyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,4-dichlorophenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,4-dichlorophenyl)-2-[[5-(3-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H14Cl2N6OS MolecularWeight: 445.32506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)C4=CN=CC=C4

Isomeric SMILES

C1=CN(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)C4=CN=CC=C4

InChI

InChI=1S/C19H14Cl2N6OS/c20-14-5-6-16(15(21)10-14)23-17(28)12-29-19-25-24-18(13-4-3-7-22-11-13)27(19)26-8-1-2-9-26/h1-11H,12H2,(H,23,28)