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

Systemtic Name: 3-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3H-isobenzofuran-1-one CAS Name: 3-[[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3H-2-benzofuran-1-one Traditional Name: 3-[[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]amino]phthalide Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3S2/c22-14(11-6-2-1-3-7-11)10-25-18-21-20-17(26-18)19-15-12-8-4-5-9-13(12)16(23)24-15/h1-9,15H,10H2,(H,19,20)