N-[2-[2-(aziridin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-[2-(aziridin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-[2-(aziridin-1-yl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-[[2-(1-aziridinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-[2-(aziridin-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-[(2-ethylenimino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H16N6O2S3 MolecularWeight: 420.53224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CC4

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CC4

InChI

InChI=1S/C16H16N6O2S3/c1-21-9-17-20-15(21)25-7-13(23)18-10-2-3-11-12(6-10)27-16(19-11)26-8-14(24)22-4-5-22/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,23)