N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(5-methyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)propionamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3S/c1-13-3-8-17-19(11-13)30-21(24-17)15-4-6-16(7-5-15)23-20(27)9-10-25-14(2)18(12-22-25)26(28)29/h3-8,11-12H,9-10H2,1-2H3,(H,23,27)