7-methyl-4-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[5-(m-toluidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

InChI

InChI=1S/C23H23N3O2S2/c1-13(2)18-11-19-16(10-21(27)28-20(19)9-15(18)4)12-29-23-26-25-22(30-23)24-17-7-5-6-14(3)8-17/h5-11,13H,12H2,1-4H3,(H,24,25)