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

Systemtic Name: (3E)-1-methyl-3-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)urea Openeye Name: (3E)-1-methyl-3-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)urea CAS Name: (3E)-1-methyl-3-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)urea IUPAC Name: (3E)-1-methyl-3-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)urea Traditional Name: (3E)-1-methyl-3-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)urea Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)NC)S2)CC#C

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=N\C(=O)NC)/S2)CC#C

InChI

InChI=1S/C13H13N3OS/c1-4-7-16-10-6-5-9(2)8-11(10)18-13(16)15-12(17)14-3/h1,5-6,8H,7H2,2-3H3,(H,14,17)/b15-13+