3-[5-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC4=C(C(=C3)Cl)OCO4)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC4=C(C(=C3)Cl)OCO4)CCC(=O)N

InChI

InChI=1S/C16H17ClN4O3S/c17-11-5-9(6-12-15(11)24-8-23-12)7-25-16-20-19-14(4-3-13(18)22)21(16)10-1-2-10/h5-6,10H,1-4,7-8H2,(H2,18,22)