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

Systemtic Name: 7-chloranyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-7-chloro-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-7-chloro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-7-chloro-piperonylamide Formula: C17H12ClN3O3S2 MolecularWeight: 405.87848

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)Cl

InChI

InChI=1S/C17H12ClN3O3S2/c18-12-6-11(7-13-14(12)24-9-23-13)15(22)19-16-20-21-17(26-16)25-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20,22)