3-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-methyl-5-[1-(3-nitrophenyl)ethylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-methyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2S/c1-13(16-9-6-10-17(11-16)22(23)24)25-18-20-19-14(2)21(18)12-15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3