2-[5-[(3-nitrophenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-[(3-nitrophenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[4-(4-benzyloxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(3-nitrophenyl)methylthio]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-[(3-nitrophenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[4-(4-benzoxyphenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethylamine Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=NN=C3SCC4=CC(=CC=C4)[N+](=O)[O-])CCN

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=NN=C3SCC4=CC(=CC=C4)[N+](=O)[O-])CCN

InChI

InChI=1S/C24H23N5O3S/c25-14-13-23-26-27-24(33-17-19-7-4-8-21(15-19)29(30)31)28(23)20-9-11-22(12-10-20)32-16-18-5-2-1-3-6-18/h1-12,15H,13-14,16-17,25H2