[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone

Systemtic Name: [4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone Openeye Name: (4-benzyloxy-1-piperidyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone CAS Name: [4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-(4-phenylmethoxy-1-piperidinyl)methanone IUPAC Name: [4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-(4-phenylmethoxypiperidin-1-yl)methanone Traditional Name: (4-benzoxypiperidino)-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]methanone Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-25-15-23-24-22(25)32-20-8-7-17(13-19(20)27(29)30)21(28)26-11-9-18(10-12-26)31-14-16-5-3-2-4-6-16/h2-8,13,15,18H,9-12,14H2,1H3