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

Systemtic Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-1-methyl-thiourea CAS Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-1-methyl-thiourea Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)N=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C22H22N6S/c1-27(22(29)24-15-18-9-4-2-5-10-18)25-16-20-17-28(14-8-13-23)26-21(20)19-11-6-3-7-12-19/h2-7,9-12,16-17H,8,14-15H2,1H3,(H,24,29)/b25-16-