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

Systemtic Name: 3-[(3-nitrophenyl)methylsulfanyl]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(3-nitrophenyl)methylthio]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-benzyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

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