4-methoxy-N-[[4-methyl-5-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-methoxy-N-[[4-methyl-5-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-methoxy-N-[[4-methyl-5-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-methoxy-N-[[4-methyl-5-[[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[[4-methyl-5-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[[2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N5O3S/c1-14-6-4-5-7-17(14)23-19(27)13-30-21-25-24-18(26(21)2)12-22-20(28)15-8-10-16(29-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,22,28)(H,23,27)/t14-,17+/m0/s1