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

Systemtic Name: 3-cyclopropyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-cyclopropyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[2-(3-nitrophenoxy)ethylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclopropyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-cyclopropyl-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C16H18N4O3S/c1-2-8-19-15(12-6-7-12)17-18-16(19)24-10-9-23-14-5-3-4-13(11-14)20(21)22/h2-5,11-12H,1,6-10H2