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

Systemtic Name: 4-(2-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 4-(2-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 4-(2-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(2-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 4-(2-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=C3Cl)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C21H20ClN5O4S/c22-17-5-1-2-6-18(17)26-20(25-7-3-4-8-25)23-24-21(26)32-12-15-10-16(27(28)29)9-14-11-30-13-31-19(14)15/h1-2,5-6,9-10H,3-4,7-8,11-13H2