2-methyl-3-[(4-phenyldiazenylphenyl)amino]-3-sulfanylidene-propanoic acid

Systemtic Name: 2-methyl-3-[(4-phenyldiazenylphenyl)amino]-3-sulfanylidene-propanoic acid Openeye Name: 2-methyl-3-(4-phenylazoanilino)-3-thioxo-propanoic acid CAS Name: 2-methyl-3-(4-phenyldiazenylanilino)-3-sulfanylidenepropanoic acid IUPAC Name: 2-methyl-3-(4-phenyldiazenylanilino)-3-sulfanylidenepropanoic acid Traditional Name: 2-methyl-3-(4-phenylazoanilino)-3-thioxo-propionic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=S)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=S)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H15N3O2S/c1-11(16(20)21)15(22)17-12-7-9-14(10-8-12)19-18-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,22)(H,20,21)