N-[bis(azanyl)methylidene]-4-(3-chlorophenyl)sulfanyl-2-ethyl-5-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-(3-chlorophenyl)sulfanyl-2-ethyl-5-nitro-benzamide Openeye Name: 4-(3-chlorophenyl)sulfanyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide CAS Name: 4-[(3-chlorophenyl)thio]-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide IUPAC Name: 4-(3-chlorophenyl)sulfanyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide Traditional Name: 4-[(3-chlorophenyl)thio]-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])SC2=CC(=CC=C2)Cl

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])SC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H15ClN4O3S/c1-2-9-6-14(25-11-5-3-4-10(17)7-11)13(21(23)24)8-12(9)15(22)20-16(18)19/h3-8H,2H2,1H3,(H4,18,19,20,22)