4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one

Systemtic Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)N=CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NNC(=S)N(C1=O)N=CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O2S/c1-14-20(28)27(21(30)24-23-14)22-12-16-13-26(17-6-4-3-5-7-17)25-19(16)15-8-10-18(29-2)11-9-15/h3-13H,1-2H3,(H,24,30)