4-oxidanylidene-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCN3C4=CC=CC=C4NC3=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCN3C4=CC=CC=C4NC3=O)C#N

InChI

InChI=1S/C21H17N5O2S/c22-13-15-18(14-7-2-1-3-8-14)24-20(25-19(15)27)29-12-6-11-26-17-10-5-4-9-16(17)23-21(26)28/h1-5,7-10H,6,11-12H2,(H,23,28)(H,24,25,27)