ethyl methanesulfonate; 1-[4-[(4-nitrophenyl)methoxy]phenyl]thiourea

Systemtic Name: ethyl methanesulfonate; 1-[4-[(4-nitrophenyl)methoxy]phenyl]thiourea Openeye Name: ethyl methanesulfonate; [4-[(4-nitrophenyl)methoxy]phenyl]thiourea CAS Name: methanesulfonic acid ethyl ester; [4-[(4-nitrophenyl)methoxy]phenyl]thiourea IUPAC Name: ethyl methanesulfonate; [4-[(4-nitrophenyl)methoxy]phenyl]thiourea Traditional Name: methanesulfonic acid ethyl ester; [4-(4-nitrobenzyl)oxyphenyl]thiourea Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C.C1=CC(=CC=C1COC2=CC=C(C=C2)NC(=S)N)[N+](=O)[O-]

Isomeric SMILES

CCOS(=O)(=O)C.C1=CC(=CC=C1COC2=CC=C(C=C2)NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O3S.C3H8O3S/c15-14(21)16-11-3-7-13(8-4-11)20-9-10-1-5-12(6-2-10)17(18)19;1-3-6-7(2,4)5/h1-8H,9H2,(H3,15,16,21);3H2,1-2H3