3-[3-[(4-propan-2-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(4-propan-2-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(4-isopropylphenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(4-propan-2-ylphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(4-propan-2-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(4-isopropylbenzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C19H22N4OS2 MolecularWeight: 386.53418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C19H22N4OS2/c1-13(2)15-7-5-14(6-8-15)12-26-19-22-21-18(16-4-3-11-25-16)23(19)10-9-17(20)24/h3-8,11,13H,9-10,12H2,1-2H3,(H2,20,24)