2-[2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: 2-[2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-propyl-propanamide Openeye Name: 2-[[2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propyl-propanamide CAS Name: 2-[[1-oxo-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-N-propylpropanamide IUPAC Name: 2-[[2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propylpropanamide Traditional Name: 2-[[2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-propyl-propionamide Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=NN=CN1C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCNC(=O)C(C)NC(=O)CSC1=NN=CN1C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C19H27N5O2S/c1-5-10-20-18(26)14(4)22-17(25)11-27-19-23-21-12-24(19)16-8-6-15(7-9-16)13(2)3/h6-9,12-14H,5,10-11H2,1-4H3,(H,20,26)(H,22,25)