3-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]-4-phenylazanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]-4-phenylazanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-anilino-3-(diisopropoxyphosphinothioylsulfanylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 4-anilino-3-[[di(propan-2-yloxy)phosphinothioylthio]methyl]-1H-1,2,4-triazol-5-one IUPAC Name: 4-anilino-3-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-anilino-3-[(diisopropoxythiophosphorylthio)methyl]-1H-1,2,4-triazol-5-one Formula: C15H23N4O3PS2 MolecularWeight: 402.471881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=S)(OC(C)C)SCC1=NNC(=O)N1NC2=CC=CC=C2

Isomeric SMILES

CC(C)OP(=S)(OC(C)C)SCC1=NNC(=O)N1NC2=CC=CC=C2

InChI

InChI=1S/C15H23N4O3PS2/c1-11(2)21-23(24,22-12(3)4)25-10-14-16-17-15(20)19(14)18-13-8-6-5-7-9-13/h5-9,11-12,18H,10H2,1-4H3,(H,17,20)