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

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-nitro-pyrazole-1-carbothioamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-nitro-pyrazole-1-carbothioamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-4-nitro-1-pyrazolecarbothioamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-nitropyrazole-1-carbothioamide Traditional Name: N-[1-(2-chlorobenzyl)pyrazol-4-yl]-4-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=C(C=N3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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