sodium N'-(4-chlorophenyl)sulfonyl-N-(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)carbamimidate

Systemtic Name: sodium N'-(4-chlorophenyl)sulfonyl-N-(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)carbamimidate Openeye Name: sodium N'-(4-chlorophenyl)sulfonyl-N-(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)carbamimidate CAS Name: sodium N'-(4-chlorophenyl)sulfonyl-N-(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)carbamimidate IUPAC Name: sodium N'-(4-chlorophenyl)sulfonyl-N-(4-cyano-5-methyl-2-phenylpyrazol-3-yl)carbamimidate Traditional Name: sodium N'-(4-chlorophenyl)sulfonyl-N-(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)carbamimidate Formula: C18H13ClN5NaO3S MolecularWeight: 437.83529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)NC(=NS(=O)(=O)C2=CC=C(C=C2)Cl)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=NN(C(=C1C#N)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)Cl)/[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C18H14ClN5O3S.Na/c1-12-16(11-20)17(24(22-12)14-5-3-2-4-6-14)21-18(25)23-28(26,27)15-9-7-13(19)8-10-15;/h2-10H,1H3,(H2,21,23,25);/q;+1/p-1