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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide Formula: C18H17N7OS2 MolecularWeight: 411.50388

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C18H17N7OS2/c1-24(10-15-21-13-6-2-3-7-14(13)28-15)16(26)11-27-18-23-22-17(25(18)19)12-5-4-8-20-9-12/h2-9H,10-11,19H2,1H3