N-(1,3-benzodioxol-5-yl)-2-[[4-oxidanylidene-3-(phenylmethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[4-oxidanylidene-3-(phenylmethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-benzyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-oxo-3-(phenylmethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(3-benzyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-benzyl-4-keto-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)thio]acetamide Formula: C20H15N5O4S2 MolecularWeight: 453.4942

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN4C(=O)C(=NN=C4S3)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN4C(=O)C(=NN=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C20H15N5O4S2/c26-17(21-13-6-7-15-16(9-13)29-11-28-15)10-30-20-24-25-18(27)14(22-23-19(25)31-20)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,21,26)