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

Systemtic Name: 3-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-3H-isobenzofuran-1-one CAS Name: 3-[[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]amino]phthalide Formula: C21H15N3O2S2 MolecularWeight: 405.4927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)NC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)NC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C21H15N3O2S2/c25-19-17-11-4-3-10-16(17)18(26-19)22-20-23-24-21(28-20)27-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,18H,12H2,(H,22,23)