N-(1,3-benzothiazol-2-yl)-2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H17ClN6OS2 MolecularWeight: 493.00368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)C5=CC=NC=C5

InChI

InChI=1S/C23H17ClN6OS2/c1-14-16(24)5-4-7-18(14)30-21(15-9-11-25-12-10-15)28-29-23(30)32-13-20(31)27-22-26-17-6-2-3-8-19(17)33-22/h2-12H,13H2,1H3,(H,26,27,31)