(2S)-2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-ethyl-propionamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-3-22-20(28)15(2)23-18(27)14-29-21-24-19(16-10-6-4-7-11-16)26(25-21)17-12-8-5-9-13-17/h5,8-9,12-13,15-16H,3-4,6-7,10-11,14H2,1-2H3,(H,22,28)(H,23,27)/t15-/m0/s1