3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide

Systemtic Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Openeye Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: 3-(3-methoxy-4-nitro-1-pyrazolyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide IUPAC Name: 3-(3-methoxy-4-nitropyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C=C(C(=N4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C=C(C(=N4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-13-3-8-16-18(11-13)31-21(23-16)14-4-6-15(7-5-14)22-19(27)9-10-25-12-17(26(28)29)20(24-25)30-2/h3-8,11-12H,9-10H2,1-2H3,(H,22,27)