N-aminocarbonyl-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-aminocarbonyl-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-acetamide CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-carbamoylacetamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-carbamoyl-acetamide Formula: C19H16N6O2S3 MolecularWeight: 456.56434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)N)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)N)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N6O2S3/c20-17(27)22-16(26)11-28-18-24-23-15(25(18)12-6-2-1-3-7-12)10-29-19-21-13-8-4-5-9-14(13)30-19/h1-9H,10-11H2,(H3,20,22,26,27)