5-azanyl-6-[(E)-(2-methylindol-3-ylidene)methyl]-2-(2-phenoxyethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanyl-6-[(E)-(2-methylindol-3-ylidene)methyl]-2-(2-phenoxyethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 5-amino-6-[(E)-(2-methylindol-3-ylidene)methyl]-2-(2-phenoxyethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 5-amino-6-[(E)-(2-methyl-3-indolylidene)methyl]-2-(2-phenoxyethylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 5-amino-6-[(E)-(2-methylindol-3-ylidene)methyl]-2-(2-phenoxyethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 5-amino-6-[(E)-(2-methylindol-3-ylidene)methyl]-2-(2-phenoxyethylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C23H19N5O2S2 MolecularWeight: 461.55926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C1=CC3=C(N4C(=NC3=O)SC(=N4)SCCOC5=CC=CC=C5)N

Isomeric SMILES

CC\1=NC2=CC=CC=C2/C1=C\C3=C(N4C(=NC3=O)SC(=N4)SCCOC5=CC=CC=C5)N

InChI

InChI=1S/C23H19N5O2S2/c1-14-17(16-9-5-6-10-19(16)25-14)13-18-20(24)28-22(26-21(18)29)32-23(27-28)31-12-11-30-15-7-3-2-4-8-15/h2-10,13H,11-12,24H2,1H3/b17-13-