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

Systemtic Name: (6E)-5-azanylidene-6-[[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-[2-(4-cyclohexylphenoxy)ethyl]-3-indolyl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C31H33N5O2S MolecularWeight: 539.69102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN2C(=N)C(=CC3=CN(C4=CC=CC=C43)CCOC5=CC=C(C=C5)C6CCCCC6)C(=O)N=C2S1

Isomeric SMILES

CCCC1=NN2C(=N)/C(=C\C3=CN(C4=CC=CC=C43)CCOC5=CC=C(C=C5)C6CCCCC6)/C(=O)N=C2S1

InChI

InChI=1S/C31H33N5O2S/c1-2-8-28-34-36-29(32)26(30(37)33-31(36)39-28)19-23-20-35(27-12-7-6-11-25(23)27)17-18-38-24-15-13-22(14-16-24)21-9-4-3-5-10-21/h6-7,11-16,19-21,32H,2-5,8-10,17-18H2,1H3/b26-19+,32-29?