3-chloranyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-nitro-N-[1-(o-tolylmethyl)pyrazol-3-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[1-(2-methylbenzyl)pyrazol-3-yl]-6-nitro-benzothiophene-2-carboxamide Formula: C20H15ClN4O3S MolecularWeight: 426.8761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClN4O3S/c1-12-4-2-3-5-13(12)11-24-9-8-17(23-24)22-20(26)19-18(21)15-7-6-14(25(27)28)10-16(15)29-19/h2-10H,11H2,1H3,(H,22,23,26)