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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-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)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S/c1-9-2-3-10-11(8-9)23-14(15-10)16-13(20)5-7-18-6-4-12(17-18)19(21)22/h2-4,6,8H,5,7H2,1H3,(H,15,16,20)