6-(2-sulfanylethanoylamino)-N-[4-(1,2,4-triazol-1-yl)phenyl]hexanamide

Systemtic Name: 6-(2-sulfanylethanoylamino)-N-[4-(1,2,4-triazol-1-yl)phenyl]hexanamide Openeye Name: 6-[(2-sulfanylacetyl)amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]hexanamide CAS Name: 6-[(2-mercapto-1-oxoethyl)amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]hexanamide IUPAC Name: 6-[(2-sulfanylacetyl)amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]hexanamide Traditional Name: 6-[(2-mercaptoacetyl)amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]hexanamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCCCCNC(=O)CS)N2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCCCCNC(=O)CS)N2C=NC=N2

InChI

InChI=1S/C16H21N5O2S/c22-15(4-2-1-3-9-18-16(23)10-24)20-13-5-7-14(8-6-13)21-12-17-11-19-21/h5-8,11-12,24H,1-4,9-10H2,(H,18,23)(H,20,22)