4-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide

Systemtic Name: 4-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide Openeye Name: 4-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide CAS Name: 4-[5-phenyl-3-(prop-2-ynylthio)-1,2,4-triazol-1-yl]benzenesulfonamide IUPAC Name: 4-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide Traditional Name: 4-[5-phenyl-3-(propargylthio)-1,2,4-triazol-1-yl]benzenesulfonamide Formula: C17H14N4O2S2 MolecularWeight: 370.44866

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C#CCSC1=NN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H14N4O2S2/c1-2-12-24-17-19-16(13-6-4-3-5-7-13)21(20-17)14-8-10-15(11-9-14)25(18,22)23/h1,3-11H,12H2,(H2,18,22,23)