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

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

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CC=N4

InChI

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