N-(3-cyclohexyloxypropyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3-cyclohexyloxypropyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[3-(cyclohexoxy)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(3-cyclohexyloxypropyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(3-cyclohexyloxypropyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[3-(cyclohexoxy)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCOC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCOC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S/c1-23-13-21-22-19(23)29-17-9-8-14(12-16(17)24(26)27)18(25)20-10-5-11-28-15-6-3-2-4-7-15/h8-9,12-13,15H,2-7,10-11H2,1H3,(H,20,25)