5,6-bis(4-methylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazine

Systemtic Name: 5,6-bis(4-methylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazine Openeye Name: 3-[(3-nitrophenyl)methylsulfanyl]-5,6-bis(p-tolyl)-1,2,4-triazine CAS Name: 5,6-bis(4-methylphenyl)-3-[(3-nitrophenyl)methylthio]-1,2,4-triazine IUPAC Name: 5,6-bis(4-methylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazine Traditional Name: 3-[(3-nitrobenzyl)thio]-5,6-bis(p-tolyl)-1,2,4-triazine Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C

InChI

InChI=1S/C24H20N4O2S/c1-16-6-10-19(11-7-16)22-23(20-12-8-17(2)9-13-20)26-27-24(25-22)31-15-18-4-3-5-21(14-18)28(29)30/h3-14H,15H2,1-2H3