3-[[5-ethyl-1-(triphenylmethyl)imidazol-4-yl]methyl]-9-methyl-thiopyrano[2,3-b]indol-4-one

Systemtic Name: 3-[[5-ethyl-1-(triphenylmethyl)imidazol-4-yl]methyl]-9-methyl-thiopyrano[2,3-b]indol-4-one Openeye Name: 3-[(5-ethyl-1-trityl-imidazol-4-yl)methyl]-9-methyl-thiopyrano[2,3-b]indol-4-one CAS Name: 3-[[5-ethyl-1-(triphenylmethyl)-4-imidazolyl]methyl]-9-methyl-4-thiopyrano[2,3-b]indolone IUPAC Name: 3-[(5-ethyl-1-tritylimidazol-4-yl)methyl]-9-methylthiopyrano[2,3-b]indol-4-one Traditional Name: 3-[(5-ethyl-1-trityl-imidazol-4-yl)methyl]-9-methyl-thiopyran[2,3-b]indol-4-one Formula: C37H31N3OS MolecularWeight: 565.72654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CSC6=C(C5=O)C7=CC=CC=C7N6C

Isomeric SMILES

CCC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CSC6=C(C5=O)C7=CC=CC=C7N6C

InChI

InChI=1S/C37H31N3OS/c1-3-32-31(23-26-24-42-36-34(35(26)41)30-21-13-14-22-33(30)39(36)2)38-25-40(32)37(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-22,24-25H,3,23H2,1-2H3