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

Systemtic Name: 3-[3-[(3,5-dimethylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(3,5-dimethylphenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(3,5-dimethylphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(3,5-dimethylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(3,5-dimethylbenzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)C

InChI

InChI=1S/C18H20N4OS2/c1-12-8-13(2)10-14(9-12)11-25-18-21-20-17(15-4-3-7-24-15)22(18)6-5-16(19)23/h3-4,7-10H,5-6,11H2,1-2H3,(H2,19,23)