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

Systemtic Name: N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide CAS Name: N-[[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide Traditional Name: N-[[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C20H27N5O2S/c1-14-8-10-15(11-9-14)19(27)21-12-17-23-24-20(25(17)2)28-13-18(26)22-16-6-4-3-5-7-16/h8-11,16H,3-7,12-13H2,1-2H3,(H,21,27)(H,22,26)