N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C18H15N3O3S2/c22-16(13-6-7-14-15(10-13)24-9-8-23-14)19-17-20-21-18(26-17)25-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20,22)