2-methyl-1-(phenylsulfonyl)-1-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]guanidine

Systemtic Name: 2-methyl-1-(phenylsulfonyl)-1-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]guanidine Openeye Name: 1-(benzenesulfonyl)-2-methyl-1-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]guanidine CAS Name: 1-(benzenesulfonyl)-2-methyl-1-[2-(1H-1,2,4-triazol-5-ylmethylthio)ethyl]guanidine IUPAC Name: 1-(benzenesulfonyl)-2-methyl-1-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]guanidine Traditional Name: 1-besyl-2-methyl-1-[2-(1H-1,2,4-triazol-5-ylmethylthio)ethyl]guanidine Formula: C13H18N6O2S2 MolecularWeight: 354.45102

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)N(CCSCC1=NC=NN1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN=C(N)N(CCSCC1=NC=NN1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H18N6O2S2/c1-15-13(14)19(7-8-22-9-12-16-10-17-18-12)23(20,21)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,14,15)(H,16,17,18)