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

Systemtic Name: N-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3-nitro-benzamide Openeye Name: N-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitro-benzamide CAS Name: N-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitrobenzamide Traditional Name: N-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]-3-nitro-benzamide Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C20H23N5O4S/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/h2,6,9-10,12,14H,1,3-5,7-8,11,13H2,(H,21,26,27)