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

Systemtic Name: 3-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H17N5OS3 MolecularWeight: 427.56618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)N)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)N)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N5OS3/c20-16(25)10-11-26-18-23-22-17(24(18)13-6-2-1-3-7-13)12-27-19-21-14-8-4-5-9-15(14)28-19/h1-9H,10-12H2,(H2,20,25)