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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitropyrazol-1-yl)propionamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O3S/c1-13-2-7-17-18(10-13)29-20(23-17)14-3-5-15(6-4-14)22-19(26)8-9-24-12-16(11-21-24)25(27)28/h2-7,10-12H,8-9H2,1H3,(H,22,26)