1-[4-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-[4-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]piperidine Openeye Name: 1-[4-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]piperidine CAS Name: 1-[4-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[4-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]piperidine Traditional Name: 1-[4-(2-methoxyphenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-3-yl]piperidine Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C21H23N5O3S/c1-29-19-11-4-3-10-18(19)25-20(24-12-5-2-6-13-24)22-23-21(25)30-15-16-8-7-9-17(14-16)26(27)28/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3