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

Systemtic Name: (2S)-2-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-ethyl-propionamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2S/c1-3-19-17(25)12(2)20-15(24)11-26-18-21-16(13-9-10-13)23(22-18)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,19,25)(H,20,24)/t12-/m0/s1