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

Systemtic Name: 2-(benzotriazol-1-ylmethylsulfanyl)-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(benzotriazol-1-ylmethylsulfanyl)-6-(2-furyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1-benzotriazolylmethylthio)-6-(2-furanyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(benzotriazol-1-ylmethylsulfanyl)-6-(furan-2-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzotriazol-1-ylmethylthio)-6-(2-furyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C16H10N6O2S MolecularWeight: 350.3546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CSC3=NC(=O)C(=C(N3)C4=CC=CO4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CSC3=NC(=O)C(=C(N3)C4=CC=CO4)C#N

InChI

InChI=1S/C16H10N6O2S/c17-8-10-14(13-6-3-7-24-13)18-16(19-15(10)23)25-9-22-12-5-2-1-4-11(12)20-21-22/h1-7H,9H2,(H,18,19,23)