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

Systemtic Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-3-cyclohexyl-thiourea Openeye Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-3-cyclohexyl-thiourea CAS Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-3-cyclohexylthiourea IUPAC Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-3-cyclohexylthiourea Traditional Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-3-cyclohexyl-thiourea Formula: C20H24N6S MolecularWeight: 380.50976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NN=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

C1CCC(CC1)NC(=S)N/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C20H24N6S/c21-12-7-13-26-15-17(19(25-26)16-8-3-1-4-9-16)14-22-24-20(27)23-18-10-5-2-6-11-18/h1,3-4,8-9,14-15,18H,2,5-7,10-11,13H2,(H2,23,24,27)/b22-14-