5-azanyl-4-cyano-3-(phenylmethylsulfanyl)-N-(phenylsulfonyl)pyrazole-1-carboxamide

Systemtic Name: 5-azanyl-4-cyano-3-(phenylmethylsulfanyl)-N-(phenylsulfonyl)pyrazole-1-carboxamide Openeye Name: 5-amino-N-(benzenesulfonyl)-3-benzylsulfanyl-4-cyano-pyrazole-1-carboxamide CAS Name: 5-amino-N-(benzenesulfonyl)-4-cyano-3-(phenylmethylthio)-1-pyrazolecarboxamide IUPAC Name: 5-amino-N-(benzenesulfonyl)-3-benzylsulfanyl-4-cyanopyrazole-1-carboxamide Traditional Name: 5-amino-3-(benzylthio)-N-besyl-4-cyano-pyrazole-1-carboxamide Formula: C18H15N5O3S2 MolecularWeight: 413.4734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)N)C(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)N)C(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N5O3S2/c19-11-15-16(20)23(21-17(15)27-12-13-7-3-1-4-8-13)18(24)22-28(25,26)14-9-5-2-6-10-14/h1-10H,12,20H2,(H,22,24)