N-[4-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)phenyl]methanesulfonamide

Systemtic Name: N-[4-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)phenyl]methanesulfonamide Openeye Name: N-[4-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)phenyl]methanesulfonamide CAS Name: N-[4-[4-methyl-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)phenyl]methanesulfonamide Traditional Name: N-[4-[4-methyl-5-(propargylthio)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#C)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CN1C(=NN=C1SCC#C)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C13H14N4O2S2/c1-4-9-20-13-15-14-12(17(13)2)10-5-7-11(8-6-10)16-21(3,18)19/h1,5-8,16H,9H2,2-3H3