5-azanylidene-6-[[1-[2-(2,6-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[1-[2-(2,6-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[1-[2-(2,6-dimethylphenoxy)ethyl]indol-3-yl]methylene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[1-[2-(2,6-dimethylphenoxy)ethyl]-3-indolyl]methylidene]-5-imino-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[1-[2-(2,6-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[[1-[2-(2,6-dimethylphenoxy)ethyl]indol-3-yl]methylene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C29H24N6O2S MolecularWeight: 520.60486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCN2C=C(C3=CC=CC=C32)C=C4C(=N)N5C(=NC4=O)SC(=N5)C6=CN=CC=C6

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCN2C=C(C3=CC=CC=C32)C=C4C(=N)N5C(=NC4=O)SC(=N5)C6=CN=CC=C6

InChI

InChI=1S/C29H24N6O2S/c1-18-7-5-8-19(2)25(18)37-14-13-34-17-21(22-10-3-4-11-24(22)34)15-23-26(30)35-29(32-27(23)36)38-28(33-35)20-9-6-12-31-16-20/h3-12,15-17,30H,13-14H2,1-2H3