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

Systemtic Name: 4-(3-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 4-(3-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 4-(3-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(3-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 4-(3-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-pyrrolidino-1,2,4-triazole Formula: C21H20ClN5O4S MolecularWeight: 473.9326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C21H20ClN5O4S/c22-16-4-3-5-17(10-16)26-20(25-6-1-2-7-25)23-24-21(26)32-12-15-9-18(27(28)29)8-14-11-30-13-31-19(14)15/h3-5,8-10H,1-2,6-7,11-13H2