4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-1-[2-(sulfamoylamino)ethyl]pyrazole

Systemtic Name: 4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-1-[2-(sulfamoylamino)ethyl]pyrazole Openeye Name: 4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-1-[2-(sulfamoylamino)ethyl]pyrazole CAS Name: 4-(3-cyano-5-isocyanophenoxy)-3,5-diethyl-1-[2-(sulfamoylamino)ethyl]pyrazole IUPAC Name: 4-(3-cyano-5-isocyanophenoxy)-3,5-diethyl-1-[2-(sulfamoylamino)ethyl]pyrazole Traditional Name: 4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-1-[2-(sulfamoylamino)ethyl]pyrazole Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCNS(=O)(=O)N)CC)OC2=CC(=CC(=C2)[N+]#[C-])C#N

Isomeric SMILES

CCC1=C(C(=NN1CCNS(=O)(=O)N)CC)OC2=CC(=CC(=C2)[N+]#[C-])C#N

InChI

InChI=1S/C17H20N6O3S/c1-4-15-17(26-14-9-12(11-18)8-13(10-14)20-3)16(5-2)23(22-15)7-6-21-27(19,24)25/h8-10,21H,4-7H2,1-2H3,(H2,19,24,25)