1-[3-(3-chloranyl-2-methyl-phenyl)-1,2,3,4-oxatriazol-3-ium-5-yl]-3-prop-2-ynyl-urea

Systemtic Name: 1-[3-(3-chloranyl-2-methyl-phenyl)-1,2,3,4-oxatriazol-3-ium-5-yl]-3-prop-2-ynyl-urea Openeye Name: 1-[3-(3-chloro-2-methyl-phenyl)oxatriazol-3-ium-5-yl]-3-prop-2-ynyl-urea CAS Name: 1-[3-(3-chloro-2-methylphenyl)-5-oxatriazol-3-iumyl]-3-prop-2-ynylurea IUPAC Name: 1-[3-(3-chloro-2-methylphenyl)oxatriazol-3-ium-5-yl]-3-prop-2-ynylurea Traditional Name: 1-[3-(3-chloro-2-methyl-phenyl)oxatriazol-3-ium-5-yl]-3-propargyl-urea Formula: C12H11ClN5O2+ MolecularWeight: 292.70104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)[N+]2=NOC(=N2)NC(=O)NCC#C

Isomeric SMILES

CC1=C(C=CC=C1Cl)[N+]2=NOC(=N2)NC(=O)NCC#C

InChI

InChI=1S/C12H10ClN5O2/c1-3-7-14-11(19)15-12-16-18(17-20-12)10-6-4-5-9(13)8(10)2/h1,4-6H,7H2,2H3,(H-,14,15,16,17,19)/p+1