2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]-6-phenyl-1H-pyrimidin-4-one Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S/c1-13-20(15-9-5-6-10-16(15)22-13)18(25)12-27-21-23-17(11-19(26)24-21)14-7-3-2-4-8-14/h2-11,22H,12H2,1H3,(H,23,24,26)