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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[(5-pyridin-4-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[[5-(4-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[5-pyridin-4-yl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[(5-pyridin-4-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[5-(4-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6OS/c1-15-5-6-16(2)18(13-15)23-19(28)14-29-21-25-24-20(17-7-9-22-10-8-17)27(21)26-11-3-4-12-26/h3-13H,14H2,1-2H3,(H,23,28)