(6E)-5-azanylidene-6-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6E)-5-azanylidene-6-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-5-imino-6-[[1-(m-tolylmethyl)indol-3-yl]methylene]-2-(2-thienylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-5-imino-6-[[1-[(3-methylphenyl)methyl]-3-indolyl]methylidene]-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-5-imino-6-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-5-imino-6-[[1-(3-methylbenzyl)indol-3-yl]methylene]-2-(2-thenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C27H21N5OS2 MolecularWeight: 495.61854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=N)N5C(=NC4=O)SC(=N5)CC6=CC=CS6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=N)N5C(=NC4=O)SC(=N5)CC6=CC=CS6

InChI

InChI=1S/C27H21N5OS2/c1-17-6-4-7-18(12-17)15-31-16-19(21-9-2-3-10-23(21)31)13-22-25(28)32-27(29-26(22)33)35-24(30-32)14-20-8-5-11-34-20/h2-13,16,28H,14-15H2,1H3/b22-13+,28-25?