3-(3-nitrophenyl)-5-phenethylsulfanyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3-nitrophenyl)-5-phenethylsulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3-nitrophenyl)-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 3-(3-nitrophenyl)-5-(phenethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3-nitrophenyl)-5-phenethylsulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3-nitrophenyl)-5-(phenethylthio)-1,2,4-triazole Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O2S/c1-2-12-22-18(16-9-6-10-17(14-16)23(24)25)20-21-19(22)26-13-11-15-7-4-3-5-8-15/h2-10,14H,1,11-13H2