2-[(Z)-[[4-cyano-3-(phenylmethylsulfanyl)-1,2-thiazol-5-yl]hydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(Z)-[[4-cyano-3-(phenylmethylsulfanyl)-1,2-thiazol-5-yl]hydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-[(3-benzylsulfanyl-4-cyano-isothiazol-5-yl)hydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[(Z)-[[4-cyano-3-(phenylmethylthio)-5-isothiazolyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-[(3-benzylsulfanyl-4-cyano-1,2-thiazol-5-yl)hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(Z)-[[3-(benzylthio)-4-cyano-isothiazol-5-yl]hydrazono]methyl]-4-nitro-phenolate Formula: C18H12N5O3S2- MolecularWeight: 410.44958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NSC(=C2C#N)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NSC(=C2C#N)N/N=C\C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H13N5O3S2/c19-9-15-17(28-22-18(15)27-11-12-4-2-1-3-5-12)21-20-10-13-8-14(23(25)26)6-7-16(13)24/h1-8,10,21,24H,11H2/p-1/b20-10-