3-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide

Systemtic Name: 3-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide Openeye Name: 3-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide CAS Name: 3-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-methoxyphenyl)propanamide IUPAC Name: 3-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide Traditional Name: 3-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-methoxyphenyl)propionamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(O2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(O2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18N6O3S/c1-27-14-8-6-13(7-9-14)20-17(26)10-11-29-19-23-22-18(28-19)12-25-16-5-3-2-4-15(16)21-24-25/h2-9H,10-12H2,1H3,(H,20,26)