2-methyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: 2-methyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(1,2,4-triazol-1-yl)propanamide Openeye Name: 2-methyl-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-(1,2,4-triazol-1-yl)propanamide CAS Name: 2-methyl-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-2-(1,2,4-triazol-1-yl)propanamide IUPAC Name: 2-methyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(1,2,4-triazol-1-yl)propanamide Traditional Name: 2-methyl-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]-2-(1,2,4-triazol-1-yl)propionamide Formula: C19H19N5OS3 MolecularWeight: 429.58206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3)N4C=NC=N4

Isomeric SMILES

CC(C)(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3)N4C=NC=N4

InChI

InChI=1S/C19H19N5OS3/c1-19(2,24-12-20-11-21-24)17(25)22-14-3-4-15-16(9-14)28-18(23-15)27-8-6-13-5-7-26-10-13/h3-5,7,9-12H,6,8H2,1-2H3,(H,22,25)