(1E)-1-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methyl-urea

Systemtic Name: (1E)-1-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methyl-urea Openeye Name: (1E)-1-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methyl-urea CAS Name: (1E)-1-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylurea IUPAC Name: (1E)-1-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylurea Traditional Name: (1E)-1-(6-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-methyl-urea Formula: C12H10ClN3OS MolecularWeight: 279.7453

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N=C1N(C2=C(S1)C=C(C=C2)Cl)CC#C

Isomeric SMILES

CNC(=O)/N=C/1\N(C2=C(S1)C=C(C=C2)Cl)CC#C

InChI

InChI=1S/C12H10ClN3OS/c1-3-6-16-9-5-4-8(13)7-10(9)18-12(16)15-11(17)14-2/h1,4-5,7H,6H2,2H3,(H,14,17)/b15-12+