1-(2,5-dimethylphenyl)-3-prop-2-ynyl-thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-prop-2-ynyl-thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-prop-2-ynyl-thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-prop-2-ynylthiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-prop-2-ynylthiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-propargyl-thiourea Formula: C12H14N2S MolecularWeight: 218.31796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2S/c1-4-7-13-12(15)14-11-8-9(2)5-6-10(11)3/h1,5-6,8H,7H2,2-3H3,(H2,13,14,15)