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

Systemtic Name: N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-allyl-5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-allyl-5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C22H29N5O3S/c1-3-13-27-19(14-23-21(29)16-9-11-18(30-2)12-10-16)25-26-22(27)31-15-20(28)24-17-7-5-4-6-8-17/h3,9-12,17H,1,4-8,13-15H2,2H3,(H,23,29)(H,24,28)