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

Systemtic Name: N-(furan-2-ylmethyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-thiophen-2-yl-propanamide Openeye Name: N-(2-furylmethyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(2-thienyl)propanamide CAS Name: N-(2-furanylmethyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-thiophen-2-ylpropanamide IUPAC Name: N-(furan-2-ylmethyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-thiophen-2-ylpropanamide Traditional Name: N-(2-furfuryl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-(2-thienyl)propionamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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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=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CO3)C4=CC=CS4

InChI

InChI=1S/C21H20N4O3S2/c1-27-15-8-6-14(7-9-15)20-23-21(25-24-20)30-18(17-5-3-11-29-17)12-19(26)22-13-16-4-2-10-28-16/h2-11,18H,12-13H2,1H3,(H,22,26)(H,23,24,25)