3-(benzotriazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-(benzotriazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-(1-benzotriazolyl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propionamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)CCN3C4=CC=CC=C4N=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)CCN3C4=CC=CC=C4N=N3)OC

InChI

InChI=1S/C19H18N6O3S/c1-27-15-8-7-12(11-16(15)28-2)18-22-23-19(29-18)20-17(26)9-10-25-14-6-4-3-5-13(14)21-24-25/h3-8,11H,9-10H2,1-2H3,(H,20,23,26)