2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

C=CCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C18H18N4O2S/c1-2-10-19-16(23)13-25-18-21-20-17(15-9-6-11-24-15)22(18)12-14-7-4-3-5-8-14/h2-9,11H,1,10,12-13H2,(H,19,23)