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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H16N6OS2 MolecularWeight: 396.48924

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C18H16N6OS2/c1-24(10-15-20-13-4-2-3-5-14(13)27-15)16(25)11-26-18-21-17(22-23-18)12-6-8-19-9-7-12/h2-9H,10-11H2,1H3,(H,21,22,23)