N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanamide Openeye Name: 2-[(7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-[5-(o-tolyl)-1,2,4-thiadiazol-3-yl]acetamide CAS Name: N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]acetamide IUPAC Name: N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide Traditional Name: 2-[(7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]-N-[5-(o-tolyl)-1,2,4-thiadiazol-3-yl]acetamide Formula: C22H21N5OS3 MolecularWeight: 467.63004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=NSC(=N4)C5=CC=CC=C5C

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=NSC(=N4)C5=CC=CC=C5C

InChI

InChI=1S/C22H21N5OS3/c1-12-7-8-15-16(9-12)30-21-18(15)20(23-11-24-21)29-10-17(28)25-22-26-19(31-27-22)14-6-4-3-5-13(14)2/h3-6,11-12H,7-10H2,1-2H3,(H,25,27,28)