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

Systemtic Name: 4-(3-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(m-tolyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(m-tolyl)-3-[(4-nitrobenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S/c1-16-6-5-9-20(14-16)25-21(18-7-3-2-4-8-18)23-24-22(25)29-15-17-10-12-19(13-11-17)26(27)28/h2-14H,15H2,1H3