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

Systemtic Name: 1-[(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C20H18N6S MolecularWeight: 374.46212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=NNC(=S)N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3/C=N/NC(=S)N)CCC#N

InChI

InChI=1S/C20H18N6S/c21-11-4-12-26-14-18(13-23-24-20(22)27)19(25-26)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,13-14H,4,12H2,(H3,22,24,27)/b23-13+