3-[(4-aminophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate

Systemtic Name: 3-[(4-aminophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate Openeye Name: 3-[(4-aminophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate CAS Name: 3-[(4-aminophenyl)methylthio]-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate IUPAC Name: 3-[(4-aminophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate Traditional Name: 3-[(4-aminobenzyl)thio]-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate Formula: C18H17N4OS- MolecularWeight: 337.41878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4OS/c1-11-3-6-14(9-12(11)2)16-17(23)20-18(22-21-16)24-10-13-4-7-15(19)8-5-13/h3-9H,10,19H2,1-2H3,(H,20,22,23)/p-1