N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[1-(2-methylpropanoyl)-4-piperidyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(1-isobutyryl-4-piperidyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C19H25N5O2S/c1-13(2)18(26)24-9-7-16(8-10-24)22-17(25)15-5-3-14(4-6-15)11-27-19-20-12-21-23-19/h3-6,12-13,16H,7-11H2,1-2H3,(H,22,25)(H,20,21,23)