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

Systemtic Name: 1-acetamido-1-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]thiourea Openeye Name: 1-acetamido-1-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]thiourea CAS Name: 1-acetamido-1-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]thiourea IUPAC Name: 1-acetamido-1-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]thiourea Traditional Name: 1-acetamido-1-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]thiourea Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CN(C(=S)N)NC(=O)C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O2S/c1-9-12(8-18(14(15)22)17-10(2)20)13(21)19(16-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,22)(H,17,20)/b12-8+