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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=NOC(=C3)C)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=NOC(=C3)C)N4CCCCC4

InChI

InChI=1S/C21H26N6O2S/c1-14-7-9-17(10-8-14)27-20(26-11-5-4-6-12-26)23-24-21(27)30-16(3)19(28)22-18-13-15(2)29-25-18/h7-10,13,16H,4-6,11-12H2,1-3H3,(H,22,25,28)