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

Systemtic Name: 3-[3-[(3-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(m-tolylmethylsulfanyl)-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(3-methylphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(3-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(3-methylbenzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS2/c1-12-4-2-5-13(10-12)11-24-17-20-19-16(14-6-3-9-23-14)21(17)8-7-15(18)22/h2-6,9-10H,7-8,11H2,1H3,(H2,18,22)