2-cyano-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]thioacrylamide Formula: C19H13N5O2S MolecularWeight: 375.40382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N5O2S/c20-11-14(19(21)27)9-15-12-23(16-6-2-1-3-7-16)22-18(15)13-5-4-8-17(10-13)24(25)26/h1-10,12H,(H2,21,27)