4-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-methyl-benzamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

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