1-(2-chloranyl-4,6-dimethyl-phenyl)-3-prop-2-ynyl-thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-prop-2-ynyl-thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-prop-2-ynyl-thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-prop-2-ynylthiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-prop-2-ynylthiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-propargyl-thiourea Formula: C12H13ClN2S MolecularWeight: 252.76302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC#C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC#C)C

InChI

InChI=1S/C12H13ClN2S/c1-4-5-14-12(16)15-11-9(3)6-8(2)7-10(11)13/h1,6-7H,5H2,2-3H3,(H2,14,15,16)