3-[(2-nitrophenoxy)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(2-nitrophenoxy)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[(2-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-nitrophenoxy)methyl]-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(2-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(2-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S/c27-26(28)19-13-7-8-14-20(19)29-15-21-23-24-22(25(21)18-11-5-2-6-12-18)30-16-17-9-3-1-4-10-17/h1-14H,15-16H2