3-[[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 3-[[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-3H-isobenzofuran-1-one CAS Name: 3-[[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amino]phthalide Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C18H15N3O2S2/c1-11-5-4-6-12(9-11)10-24-18-21-20-17(25-18)19-15-13-7-2-3-8-14(13)16(22)23-15/h2-9,15H,10H2,1H3,(H,19,20)