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

Systemtic Name: 1-(3,4-dichlorophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dichlorophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dichlorophenyl)-2-[[4-phenyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dichlorophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dichlorophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H13Cl2N5OS MolecularWeight: 442.32112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13Cl2N5OS/c21-15-7-6-13(10-16(15)22)18(28)12-29-20-26-25-19(17-11-23-8-9-24-17)27(20)14-4-2-1-3-5-14/h1-11H,12H2