2-[(4-propan-2-ylphenyl)methylsulfanyl]-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,3,4-thiadiazole

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[(4-propan-2-ylphenyl)methylthio]-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,3,4-thiadiazole IUPAC Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-[(4-isopropylbenzyl)thio]-5-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,3,4-thiadiazole Formula: C21H25N3O3S4 MolecularWeight: 495.7015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O3S4/c1-15(2)17-7-5-16(6-8-17)13-28-20-22-23-21(30-20)29-14-18-9-10-19(27-18)31(25,26)24-11-3-4-12-24/h5-10,15H,3-4,11-14H2,1-2H3