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

Systemtic Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-3-(3-methoxyphenyl)thiourea Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NN=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H20N6OS/c1-28-19-10-5-9-18(13-19)24-21(29)25-23-14-17-15-27(12-6-11-22)26-20(17)16-7-3-2-4-8-16/h2-5,7-10,13-15H,6,12H2,1H3,(H2,24,25,29)/b23-14-