N-[(4-chlorophenyl)methyl]-6-nitro-1,3-benzothiazol-2-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-nitro-1,3-benzothiazol-2-amine Openeye Name: N-[(4-chlorophenyl)methyl]-6-nitro-1,3-benzothiazol-2-amine CAS Name: N-[(4-chlorophenyl)methyl]-6-nitro-1,3-benzothiazol-2-amine IUPAC Name: N-[(4-chlorophenyl)methyl]-6-nitro-1,3-benzothiazol-2-amine Traditional Name: (4-chlorobenzyl)-(6-nitro-1,3-benzothiazol-2-yl)amine Formula: C14H10ClN3O2S MolecularWeight: 319.7661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H10ClN3O2S/c15-10-3-1-9(2-4-10)8-16-14-17-12-6-5-11(18(19)20)7-13(12)21-14/h1-7H,8H2,(H,16,17)