4-[(E)-(10H-phenothiazin-1-ylcarbonylhydrazinylidene)methyl]benzoic acid

Systemtic Name: 4-[(E)-(10H-phenothiazin-1-ylcarbonylhydrazinylidene)methyl]benzoic acid Openeye Name: 4-[(E)-(10H-phenothiazine-1-carbonylhydrazono)methyl]benzoic acid CAS Name: 4-[(E)-[[oxo(10H-phenothiazin-1-yl)methyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-(10H-phenothiazine-1-carbonylhydrazinylidene)methyl]benzoic acid Traditional Name: 4-[(E)-(10H-phenothiazine-1-carbonylhydrazono)methyl]benzoic acid Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=C(C=CC=C3S2)C(=O)NN=CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC3=C(C=CC=C3S2)C(=O)N/N=C/C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15N3O3S/c25-20(24-22-12-13-8-10-14(11-9-13)21(26)27)15-4-3-7-18-19(15)23-16-5-1-2-6-17(16)28-18/h1-12,23H,(H,24,25)(H,26,27)/b22-12+