N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-nitro-pyrazole-1-carbothioamide

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-nitro-pyrazole-1-carbothioamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-nitro-pyrazole-1-carbothioamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-3-nitro-1-pyrazolecarbothioamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-nitropyrazole-1-carbothioamide Traditional Name: N-[1-(2-chlorobenzyl)pyrazol-4-yl]-3-nitro-pyrazole-1-carbothioamide Formula: C14H11ClN6O2S MolecularWeight: 362.79414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=N2)NC(=S)N3C=CC(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)NC(=S)N3C=CC(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN6O2S/c15-12-4-2-1-3-10(12)8-19-9-11(7-16-19)17-14(24)20-6-5-13(18-20)21(22)23/h1-7,9H,8H2,(H,17,24)