2-[2-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylthio]methyl]benzonitrile Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/C17H14ClN3O3S/c18-15-7-14(17(22)16(8-15)21(23)24)10-20-5-6-25-11-13-4-2-1-3-12(13)9-19/h1-4,7-8,10,20H,5-6,11H2