[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C13H16ClN3O3S2 MolecularWeight: 361.86744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClN3O3S2/c1-3-16(4-2)13(21)22-8-12(18)15-9-5-6-10(14)11(7-9)17(19)20/h5-7H,3-4,8H2,1-2H3,(H,15,18)