3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-nitrobenzyl)thio]-5-(phenoxymethyl)-1,2,4-triazole Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3

InChI

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