1-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]thiourea CAS Name: 1-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-3-prop-2-enylthiourea IUPAC Name: 1-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]thiourea Formula: C18H16N6S MolecularWeight: 348.42484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=S)NCC=C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=S)NCC=C

InChI

InChI=1S/C18H16N6S/c1-3-8-20-18(25)23-17-13(10-19)11-21-24(17)16-9-12(2)14-6-4-5-7-15(14)22-16/h3-7,9,11H,1,8H2,2H3,(H2,20,23,25)