4-(4-methylphenyl)sulfonyl-3-prop-2-ynylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(4-methylphenyl)sulfonyl-3-prop-2-ynylsulfanyl-1,2,4-triazole Openeye Name: 3-prop-2-ynylsulfanyl-4-(p-tolylsulfonyl)-1,2,4-triazole CAS Name: 4-(4-methylphenyl)sulfonyl-3-(prop-2-ynylthio)-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)sulfonyl-3-prop-2-ynylsulfanyl-1,2,4-triazole Traditional Name: 3-(propargylthio)-4-tosyl-1,2,4-triazole Formula: C12H11N3O2S2 MolecularWeight: 293.36464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=NN=C2SCC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=NN=C2SCC#C

InChI

InChI=1S/C12H11N3O2S2/c1-3-8-18-12-14-13-9-15(12)19(16,17)11-6-4-10(2)5-7-11/h1,4-7,9H,8H2,2H3