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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(benzotriazol-1-yl)propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(benzotriazol-1-yl)propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(1-benzotriazolyl)propanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(benzotriazol-1-yl)propanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(benzotriazol-1-yl)propionamide Formula: C18H14N6O3S MolecularWeight: 394.40716

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)CCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)CCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H14N6O3S/c25-16(7-8-24-13-4-2-1-3-12(13)20-23-24)19-18-22-21-17(28-18)11-5-6-14-15(9-11)27-10-26-14/h1-6,9H,7-8,10H2,(H,19,22,25)