3-[7-chloranyl-1-(oxan-4-ylmethyl)indol-3-yl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazole

Systemtic Name: 3-[7-chloranyl-1-(oxan-4-ylmethyl)indol-3-yl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazole Openeye Name: 3-[7-chloro-1-(tetrahydropyran-4-ylmethyl)indol-3-yl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazole CAS Name: 3-[7-chloro-1-(4-oxanylmethyl)-3-indolyl]-5-(1-pyrrolidinylmethyl)-1,2,4-thiadiazole IUPAC Name: 3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazole Traditional Name: 3-[7-chloro-1-(tetrahydropyran-4-ylmethyl)indol-3-yl]-5-(pyrrolidinomethyl)-1,2,4-thiadiazole Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NC(=NS2)C3=CN(C4=C3C=CC=C4Cl)CC5CCOCC5

Isomeric SMILES

C1CCN(C1)CC2=NC(=NS2)C3=CN(C4=C3C=CC=C4Cl)CC5CCOCC5

InChI

InChI=1S/C21H25ClN4OS/c22-18-5-3-4-16-17(13-26(20(16)18)12-15-6-10-27-11-7-15)21-23-19(28-24-21)14-25-8-1-2-9-25/h3-5,13,15H,1-2,6-12,14H2