1-[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine

Systemtic Name: 1-[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: 1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: 1-[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: 1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [1-[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4)N

InChI

InChI=1S/C23H21N5O2S/c24-21(15-17-7-3-1-4-8-17)22-25-26-23(31-16-18-9-5-2-6-10-18)27(22)19-11-13-20(14-12-19)28(29)30/h1-14,21H,15-16,24H2