3-(diethoxyphosphinothioylsulfanylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(diethoxyphosphinothioylsulfanylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(diethoxyphosphinothioylsulfanylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(diethoxyphosphinothioylthio)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(diethoxyphosphinothioylsulfanylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(diethoxythiophosphorylthio)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C14H20N3O3PS3 MolecularWeight: 405.495661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)SCC1=NNC(=S)N1C2=CC=C(C=C2)OC

Isomeric SMILES

CCOP(=S)(OCC)SCC1=NNC(=S)N1C2=CC=C(C=C2)OC

InChI

InChI=1S/C14H20N3O3PS3/c1-4-19-21(23,20-5-2)24-10-13-15-16-14(22)17(13)11-6-8-12(18-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,16,22)