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

Systemtic Name: 3-(benzotriazol-1-yl)-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-(1-benzotriazolyl)-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]propionamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18N6O2S/c1-13-6-8-14(9-7-13)27-12-18-22-23-19(28-18)20-17(26)10-11-25-16-5-3-2-4-15(16)21-24-25/h2-9H,10-12H2,1H3,(H,20,23,26)