N-(furan-2-ylmethyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanamide

Systemtic Name: N-(furan-2-ylmethyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanamide Openeye Name: N-(2-furylmethyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanamide CAS Name: N-(2-furanylmethyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-phenylpropanamide IUPAC Name: N-(furan-2-ylmethyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanamide Traditional Name: N-(2-furfuryl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-phenyl-propionamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-29-18-11-9-17(10-12-18)22-25-23(27-26-22)31-20(16-6-3-2-4-7-16)14-21(28)24-15-19-8-5-13-30-19/h2-13,20H,14-15H2,1H3,(H,24,28)(H,25,26,27)