3-methyl-N-[[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3-methyl-N-[[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[(2-keto-2-piperidino-ethyl)thio]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)N3CCCCC3

InChI

InChI=1S/C21H27N5O2S/c1-3-10-26-18(14-22-20(28)17-9-7-8-16(2)13-17)23-24-21(26)29-15-19(27)25-11-5-4-6-12-25/h3,7-9,13H,1,4-6,10-12,14-15H2,2H3,(H,22,28)