N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H20N6OS2 MolecularWeight: 472.5852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5)C

InChI

InChI=1S/C24H20N6OS2/c1-15-11-16(2)21-19(12-15)33-23(27-21)26-20(31)14-32-24-29-28-22(17-7-6-10-25-13-17)30(24)18-8-4-3-5-9-18/h3-13H,14H2,1-2H3,(H,26,27,31)