1-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]thiourea CAS Name: 1-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]thiourea Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC(=S)NCC=C)C2=CC=CC=C2

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC(=S)NCC=C)C2=CC=CC=C2

InChI

InChI=1S/C15H16N4OS/c1-3-9-16-15(21)17-10-13-11(2)18-19(14(13)20)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H2,16,17,21)/b13-10+