1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C27H29N3OS2 MolecularWeight: 475.66866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=C(N(C(=C4)C)CCC5=CC=CC=C5)C

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=C(N(C(=C4)C)CCC5=CC=CC=C5)C

InChI

InChI=1S/C27H29N3OS2/c1-17-9-10-21-24(13-17)33-27-25(21)26(28-16-29-27)32-15-23(31)22-14-18(2)30(19(22)3)12-11-20-7-5-4-6-8-20/h4-8,14,16-17H,9-13,15H2,1-3H3