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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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