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

Systemtic Name: 1-[(E)-[1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[1-(2-cyanoethyl)-3-(2-thienyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[1-(2-cyanoethyl)-3-thiophen-2-ylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[1-(2-cyanoethyl)-3-(2-thienyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C12H12N6S2 MolecularWeight: 304.39388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6S2/c13-4-2-5-18-8-9(7-15-16-12(14)19)11(17-18)10-3-1-6-20-10/h1,3,6-8H,2,5H2,(H3,14,16,19)/b15-7+