2-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[5-(m-toluidino)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H17N5OS3 MolecularWeight: 463.59828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H17N5OS3/c1-13-6-5-9-15(10-13)23-21-26-27-22(31-21)30-12-17-24-19(28)18-16(11-29-20(18)25-17)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,23,26)(H,24,25,28)