4-methylsulfonyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide

Systemtic Name: 4-methylsulfonyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide Openeye Name: 4-methylsulfonyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide CAS Name: 4-methylsulfonyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide IUPAC Name: 4-methylsulfonyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide Traditional Name: 4-mesyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCN2C=NC=N2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCN2C=NC=N2

InChI

InChI=1S/C13H16N4O3S/c1-21(19,20)12-5-3-11(4-6-12)13(18)15-7-2-8-17-10-14-9-16-17/h3-6,9-10H,2,7-8H2,1H3,(H,15,18)