4-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C18H12ClN5O3S MolecularWeight: 413.83758

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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)C4=C(C(=NN4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C(=NN4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H12ClN5O3S/c1-9-2-7-12-13(8-9)28-18(21-12)10-3-5-11(6-4-10)20-17(25)15-14(19)16(23-22-15)24(26)27/h2-8H,1H3,(H,20,25)(H,22,23)