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

Systemtic Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-3-(2-methoxyphenyl)propanamide Openeye Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-3-(2-methoxyphenyl)propanamide CAS Name: N-[5-(1-benzotriazolylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-3-(2-methoxyphenyl)propanamide IUPAC Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-3-(2-methoxyphenyl)propanamide Traditional Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-3-(2-methoxyphenyl)propionamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NN=C(S1)CN2C3=CC=CC=C3N=N2)C(=O)CCC4=CC=CC=C4OC

Isomeric SMILES

CCN(C1=NN=C(S1)CN2C3=CC=CC=C3N=N2)C(=O)CCC4=CC=CC=C4OC

InChI

InChI=1S/C21H22N6O2S/c1-3-26(20(28)13-12-15-8-4-7-11-18(15)29-2)21-24-23-19(30-21)14-27-17-10-6-5-9-16(17)22-25-27/h4-11H,3,12-14H2,1-2H3