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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3CCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3CCCC3

InChI

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