4-[(4-nitrophenyl)methyl]-3-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-[(4-nitrophenyl)methyl]-3-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole CAS Name: 4-[(4-nitrophenyl)methyl]-3-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(4-nitrobenzyl)-1,2,4-triazole Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=CN2CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=CN2CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c21-20(22)15-8-6-13(7-9-15)10-19-12-17-18-16(19)23-11-14-4-2-1-3-5-14/h1-9,12H,10-11H2