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

Systemtic Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-3-(o-tolyl)thiourea CAS Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-3-(o-tolyl)thiourea Formula: C21H20N6S MolecularWeight: 388.4887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NN=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H20N6S/c1-16-8-5-6-11-19(16)24-21(28)25-23-14-18-15-27(13-7-12-22)26-20(18)17-9-3-2-4-10-17/h2-6,8-11,14-15H,7,13H2,1H3,(H2,24,25,28)/b23-14-