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

Systemtic Name: 4-(3-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-(m-tolyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-(3-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-benzyl-4-(m-tolyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2S/c1-17-6-5-9-21(14-17)26-22(15-18-7-3-2-4-8-18)24-25-23(26)30-16-19-10-12-20(13-11-19)27(28)29/h2-14H,15-16H2,1H3