N-[(E)-(1-diethoxyphosphinothioylsulfanyl-3,3-dimethyl-butan-2-ylidene)amino]-4-nitro-benzamide

Systemtic Name: N-[(E)-(1-diethoxyphosphinothioylsulfanyl-3,3-dimethyl-butan-2-ylidene)amino]-4-nitro-benzamide Openeye Name: N-[(E)-[1-(diethoxyphosphinothioylsulfanylmethyl)-2,2-dimethyl-propylidene]amino]-4-nitro-benzamide CAS Name: N-[(E)-[1-(diethoxyphosphinothioylthio)-3,3-dimethylbutan-2-ylidene]amino]-4-nitrobenzamide IUPAC Name: N-[(E)-(1-diethoxyphosphinothioylsulfanyl-3,3-dimethylbutan-2-ylidene)amino]-4-nitrobenzamide Traditional Name: N-[(E)-[1-[(diethoxythiophosphorylthio)methyl]-2,2-dimethyl-propylidene]amino]-4-nitro-benzamide Formula: C17H26N3O5PS2 MolecularWeight: 447.509201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)SCC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CCOP(=S)(OCC)SC/C(=N/NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/C(C)(C)C

InChI

InChI=1S/C17H26N3O5PS2/c1-6-24-26(27,25-7-2)28-12-15(17(3,4)5)18-19-16(21)13-8-10-14(11-9-13)20(22)23/h8-11H,6-7,12H2,1-5H3,(H,19,21)/b18-15-