3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-cyclopropyl-5-pyrrolidino-1,2,4-triazole Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=C5C(=CC(=C4)Cl)COCO5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=C5C(=CC(=C4)Cl)COCO5

InChI

InChI=1S/C18H21ClN4O2S/c19-14-7-12-9-24-11-25-16(12)13(8-14)10-26-18-21-20-17(22-5-1-2-6-22)23(18)15-3-4-15/h7-8,15H,1-6,9-11H2