N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]-piperonylamide Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)CSC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)CSC4=CC=CC=C4

InChI

InChI=1S/C17H13N3O3S2/c21-16(11-6-7-13-14(8-11)23-10-22-13)18-17-20-19-15(25-17)9-24-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,18,20,21)