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

Systemtic Name: 3-nitro-N-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide Traditional Name: N-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-3-nitro-benzamide Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O4S/c1-2-11-24-18(14-7-4-3-5-8-14)22-23-20(24)30-13-17(26)21-19(27)15-9-6-10-16(12-15)25(28)29/h2-10,12H,1,11,13H2,(H,21,26,27)