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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O2S/c1-3-11-22-18(16-6-4-5-14(2)12-16)20-21-19(22)26-13-15-7-9-17(10-8-15)23(24)25/h3-10,12H,1,11,13H2,2H3