propan-2-yl 4,5-diisocyano-2-[2-[(4-methylphenoxy)methylcarbamoyl]hydrazinyl]benzenesulfinate

Systemtic Name: propan-2-yl 4,5-diisocyano-2-[2-[(4-methylphenoxy)methylcarbamoyl]hydrazinyl]benzenesulfinate Openeye Name: isopropyl 4,5-diisocyano-2-[2-[(4-methylphenoxy)methylcarbamoyl]hydrazino]benzenesulfinate CAS Name: 4,5-diisocyano-2-[[[(4-methylphenoxy)methylamino]-oxomethyl]hydrazo]benzenesulfinic acid propan-2-yl ester IUPAC Name: propan-2-yl 4,5-diisocyano-2-[2-[(4-methylphenoxy)methylcarbamoyl]hydrazinyl]benzenesulfinate Traditional Name: 4,5-diisocyano-2-[N'-[(4-methylphenoxy)methylcarbamoyl]hydrazino]benzenesulfinic acid isopropyl ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCNC(=O)NNC2=C(C=C(C(=C2)[N+]#[C-])[N+]#[C-])S(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCNC(=O)NNC2=C(C=C(C(=C2)[N+]#[C-])[N+]#[C-])S(=O)OC(C)C

InChI

InChI=1S/C20H21N5O4S/c1-13(2)29-30(27)19-11-17(22-5)16(21-4)10-18(19)24-25-20(26)23-12-28-15-8-6-14(3)7-9-15/h6-11,13,24H,12H2,1-3H3,(H2,23,25,26)