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

Systemtic Name: 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-ethyl-propanamide Openeye Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-ethyl-propanamide CAS Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide Traditional Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-ethyl-propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)C(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-3-22-20(28)15(2)23-18(27)14-29-21-25-24-19(16-10-6-4-7-11-16)26(21)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3,(H,22,28)(H,23,27)