N'-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3-nitro-benzohydrazide

Systemtic Name: N'-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitrobenzohydrazide Traditional Name: N'-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4S/c1-12-19-22-18(23(12)14-7-3-2-4-8-14)29-11-16(25)20-21-17(26)13-6-5-9-15(10-13)24(27)28/h5-6,9-10,14H,2-4,7-8,11H2,1H3,(H,20,25)(H,21,26)