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

Systemtic Name: 3-(3-nitrophenyl)-4-(phenylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-benzyl-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 3-(3-nitrophenyl)-4-(phenylmethyl)-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(3-nitrophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-4-benzyl-5-(3-nitrophenyl)-1,2,4-triazole Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O2S/c1-2-11-25-18-20-19-17(15-9-6-10-16(12-15)22(23)24)21(18)13-14-7-4-3-5-8-14/h2-10,12H,1,11,13H2