4-chloranyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[5-(m-tolylmethyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[5-[(3-methylphenyl)methyl]-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[5-(3-methylbenzyl)thiazol-2-yl]-3-nitro-benzamide Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O3S/c1-11-3-2-4-12(7-11)8-14-10-20-18(26-14)21-17(23)13-5-6-15(19)16(9-13)22(24)25/h2-7,9-10H,8H2,1H3,(H,20,21,23)