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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H26N6O2S/c1-3-17(19(28)22-18-14-15(2)29-25-18)30-21-24-23-20(26-12-8-5-9-13-26)27(21)16-10-6-4-7-11-16/h4,6-7,10-11,14,17H,3,5,8-9,12-13H2,1-2H3,(H,22,25,28)