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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(5-pyridin-4-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[[5-(4-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[5-pyridin-4-yl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(5-pyridin-4-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[5-(4-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H17ClN6OS MolecularWeight: 424.90658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=NC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=NC=C4)Cl

InChI

InChI=1S/C20H17ClN6OS/c1-14-4-5-16(12-17(14)21)23-18(28)13-29-20-25-24-19(15-6-8-22-9-7-15)27(20)26-10-2-3-11-26/h2-12H,13H2,1H3,(H,23,28)