(E)-2-(4-nitrophenyl)sulfanyl-3-(1-phenylpyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-2-(4-nitrophenyl)sulfanyl-3-(1-phenylpyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-2-(4-nitrophenyl)sulfanyl-3-(1-phenylpyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-2-[(4-nitrophenyl)thio]-3-(1-phenyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-2-(4-nitrophenyl)sulfanyl-3-(1-phenylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-2-[(4-nitrophenyl)thio]-3-(1-phenylpyrazol-4-yl)acrylic acid Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C(C(=O)O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C(\C(=O)O)/SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S/c22-18(23)17(26-16-8-6-15(7-9-16)21(24)25)10-13-11-19-20(12-13)14-4-2-1-3-5-14/h1-12H,(H,22,23)/b17-10+