N-(3-chloranyl-2-methyl-phenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[4-phenyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H17ClN6OS MolecularWeight: 436.91728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C21H17ClN6OS/c1-14-16(22)8-5-9-17(14)25-19(29)13-30-21-27-26-20(18-12-23-10-11-24-18)28(21)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,29)