N-[5-azanyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]-2-nitro-benzamide

Systemtic Name: N-[5-azanyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]-2-nitro-benzamide Openeye Name: N-[5-amino-3-oxo-4-[4-(p-tolyl)thiazol-2-yl]-2H-pyrrol-1-yl]-2-nitro-benzamide CAS Name: N-[5-amino-4-[4-(4-methylphenyl)-2-thiazolyl]-3-oxo-2H-pyrrol-1-yl]-2-nitrobenzamide IUPAC Name: N-[5-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]-2-nitrobenzamide Traditional Name: N-[2-amino-4-keto-3-[4-(p-tolyl)thiazol-2-yl]-2-pyrrolin-1-yl]-2-nitro-benzamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)NC(=O)C4=CC=CC=C4[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)NC(=O)C4=CC=CC=C4[N+](=O)[O-])N

InChI

InChI=1S/C21H17N5O4S/c1-12-6-8-13(9-7-12)15-11-31-21(23-15)18-17(27)10-25(19(18)22)24-20(28)14-4-2-3-5-16(14)26(29)30/h2-9,11H,10,22H2,1H3,(H,24,28)