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

Systemtic Name: 3-[3-[(2-methylphenyl)-phenyl-methyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[o-tolyl(phenyl)methyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[(2-methylphenyl)-phenylmethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(2-methylphenyl)-phenylmethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[o-tolyl(phenyl)methyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C23H22N4OS2 MolecularWeight: 434.57698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)SC3=NN=C(N3CCC(=O)N)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)SC3=NN=C(N3CCC(=O)N)C4=CC=CS4

InChI

InChI=1S/C23H22N4OS2/c1-16-8-5-6-11-18(16)21(17-9-3-2-4-10-17)30-23-26-25-22(19-12-7-15-29-19)27(23)14-13-20(24)28/h2-12,15,21H,13-14H2,1H3,(H2,24,28)