2-[[4-(4-chlorophenyl)-5-diethoxyphosphinothioyloxy-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-diethoxyphosphinothioyloxy-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(4-chlorophenyl)-5-diethoxyphosphinothioyloxy-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(4-chlorophenyl)-5-diethoxyphosphinothioyloxy-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(4-chlorophenyl)-5-diethoxyphosphinothioyloxy-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(4-chlorophenyl)-5-diethoxythiophosphoryloxy-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C14H16ClN4O3PS2 MolecularWeight: 418.858601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC#N

Isomeric SMILES

CCOP(=S)(OCC)OC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC#N

InChI

InChI=1S/C14H16ClN4O3PS2/c1-3-20-23(24,21-4-2)22-13-17-18-14(25-10-9-16)19(13)12-7-5-11(15)6-8-12/h5-8H,3-4,10H2,1-2H3