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

Systemtic Name: 3-(benzotriazol-1-yl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(1-benzotriazolyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H16N6OS/c25-16(10-11-24-15-9-5-4-8-14(15)20-23-24)19-18-22-21-17(26-18)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,22,25)