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

Systemtic Name: 3-[4-(furan-2-ylmethyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-(2-furylmethyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-furanylmethyl)-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(furan-2-ylmethyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-(2-furfuryl)-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)CCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)CCC(=O)N

InChI

InChI=1S/C18H20N4O2S/c1-13-4-6-14(7-5-13)12-25-18-21-20-17(9-8-16(19)23)22(18)11-15-3-2-10-24-15/h2-7,10H,8-9,11-12H2,1H3,(H2,19,23)