3-nitro-N'-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzohydrazide

Systemtic Name: 3-nitro-N'-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzohydrazide Openeye Name: N'-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitro-benzohydrazide CAS Name: 3-nitro-N'-[1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]benzohydrazide IUPAC Name: 3-nitro-N'-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide Traditional Name: N'-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C20H18N6O4S MolecularWeight: 438.45972

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H18N6O4S/c1-2-11-25-18(14-7-4-3-5-8-14)22-24-20(25)31-13-17(27)21-23-19(28)15-9-6-10-16(12-15)26(29)30/h2-10,12H,1,11,13H2,(H,21,27)(H,23,28)