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

Systemtic Name: 2-(benzotriazol-1-ylmethylsulfanyl)-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(benzotriazol-1-ylmethylsulfanyl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1-benzotriazolylmethylthio)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(benzotriazol-1-ylmethylsulfanyl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzotriazol-1-ylmethylthio)-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C18H12N6OS MolecularWeight: 360.39248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N6OS/c19-10-13-16(12-6-2-1-3-7-12)20-18(21-17(13)25)26-11-24-15-9-5-4-8-14(15)22-23-24/h1-9H,11H2,(H,20,21,25)