1-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-methyl-thiourea

Systemtic Name: 1-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-methyl-thiourea Openeye Name: 1-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-methyl-thiourea CAS Name: 1-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-methylthiourea IUPAC Name: 1-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-methylthiourea Traditional Name: 1-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-methyl-thiourea Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CNC(=S)N/N=C\C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2S/c1-21-20(28)23-22-12-15-13-25(16-5-3-2-4-6-16)24-19(15)14-7-8-17-18(11-14)27-10-9-26-17/h2-8,11-13H,9-10H2,1H3,(H2,21,23,28)/b22-12-