3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 3-[2-(3-nitrophenoxy)ethylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[2-(3-nitrophenoxy)ethylthio]-5-phenyl-1,2,4-triazole Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3S/c1-2-11-22-18(15-7-4-3-5-8-15)20-21-19(22)27-13-12-26-17-10-6-9-16(14-17)23(24)25/h2-10,14H,1,11-13H2