N-(1,3-benzothiazol-2-yl)-4-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(4-nitropyrazol-1-yl)butyramide Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S/c20-13(6-3-7-18-9-10(8-15-18)19(21)22)17-14-16-11-4-1-2-5-12(11)23-14/h1-2,4-5,8-9H,3,6-7H2,(H,16,17,20)