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

Systemtic Name: 1-(3,4-dichlorophenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3,4-dichlorophenyl)-2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dichlorophenyl)-2-[[4-(4-methylphenyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dichlorophenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3,4-dichlorophenyl)-2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H15Cl2N5OS MolecularWeight: 456.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C4=NC=CN=C4

InChI

InChI=1S/C21H15Cl2N5OS/c1-13-2-5-15(6-3-13)28-20(18-11-24-8-9-25-18)26-27-21(28)30-12-19(29)14-4-7-16(22)17(23)10-14/h2-11H,12H2,1H3