N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[4-(4-methylphenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NOC(=C3)C)CC4=CC=CN4C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NOC(=C3)C)CC4=CC=CN4C

InChI

InChI=1S/C21H22N6O2S/c1-14-6-8-16(9-7-14)27-19(12-17-5-4-10-26(17)3)23-24-21(27)30-13-20(28)22-18-11-15(2)29-25-18/h4-11H,12-13H2,1-3H3,(H,22,25,28)