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

Systemtic Name: (6E)-5-azanylidene-6-[[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]methylidene]-2-heptyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]methylene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-[2-(4-tert-butylphenoxy)ethyl]-3-indolyl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]methylene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C33H39N5O2S MolecularWeight: 569.76006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN2C(=N)C(=CC3=CN(C4=CC=CC=C43)CCOC5=CC=C(C=C5)C(C)(C)C)C(=O)N=C2S1

Isomeric SMILES

CCCCCCCC1=NN2C(=N)/C(=C\C3=CN(C4=CC=CC=C43)CCOC5=CC=C(C=C5)C(C)(C)C)/C(=O)N=C2S1

InChI

InChI=1S/C33H39N5O2S/c1-5-6-7-8-9-14-29-36-38-30(34)27(31(39)35-32(38)41-29)21-23-22-37(28-13-11-10-12-26(23)28)19-20-40-25-17-15-24(16-18-25)33(2,3)4/h10-13,15-18,21-22,34H,5-9,14,19-20H2,1-4H3/b27-21+,34-30?