N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)propionamide Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S/c1-8-3-4-11-12(5-8)23-14(16-11)17-13(20)9(2)18-7-10(6-15-18)19(21)22/h3-7,9H,1-2H3,(H,16,17,20)