2-(benzotriazol-1-ylmethylsulfanyl)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(benzotriazol-1-ylmethylsulfanyl)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(benzotriazol-1-ylmethylsulfanyl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1-benzotriazolylmethylthio)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(benzotriazol-1-ylmethylsulfanyl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzotriazol-1-ylmethylthio)-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C19H14N6O2S MolecularWeight: 390.41846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCN3C4=CC=CC=C4N=N3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCN3C4=CC=CC=C4N=N3)C#N

InChI

InChI=1S/C19H14N6O2S/c1-27-13-8-6-12(7-9-13)17-14(10-20)18(26)22-19(21-17)28-11-25-16-5-3-2-4-15(16)23-24-25/h2-9H,11H2,1H3,(H,21,22,26)