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

Systemtic Name: N-(4-propan-2-ylphenyl)-2-[(5-pyridin-4-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[[5-(4-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-propan-2-ylphenyl)-2-[[5-pyridin-4-yl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-[(5-pyridin-4-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-p-cumenyl-2-[[5-(4-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6OS/c1-16(2)17-5-7-19(8-6-17)24-20(29)15-30-22-26-25-21(18-9-11-23-12-10-18)28(22)27-13-3-4-14-27/h3-14,16H,15H2,1-2H3,(H,24,29)