1-[(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C14H14N6S MolecularWeight: 298.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=S)N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=S)N)CCC#N

InChI

InChI=1S/C14H14N6S/c15-7-4-8-20-10-12(9-17-18-14(16)21)13(19-20)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,8H2,(H3,16,18,21)/b17-9+