3-(3-nitrophenyl)-4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3-nitrophenyl)-4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-benzylsulfanyl-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 3-(3-nitrophenyl)-4-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 4-benzyl-3-benzylsulfanyl-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(benzylthio)-5-(3-nitrophenyl)-1,2,4-triazole Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O2S/c27-26(28)20-13-7-12-19(14-20)21-23-24-22(29-16-18-10-5-2-6-11-18)25(21)15-17-8-3-1-4-9-17/h1-14H,15-16H2