4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(2-pyridyl)-1H-1,2,4-triazol-3-yl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(2-pyridinyl)-1H-1,2,4-triazol-3-yl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(2-pyridyl)-1H-1,2,4-triazol-3-yl]butyramide Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NC3=NNC(=N3)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NC3=NNC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C18H16N6OS/c25-15(9-5-10-16-20-12-6-1-2-8-14(12)26-16)21-18-22-17(23-24-18)13-7-3-4-11-19-13/h1-4,6-8,11H,5,9-10H2,(H2,21,22,23,24,25)