1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)thiourea Openeye Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)thiourea CAS Name: 1-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-(2,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)thiourea Traditional Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)thiourea Formula: C19H19N7O2S MolecularWeight: 409.46486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H19N7O2S/c1-27-14-7-8-18(28-2)16(9-14)22-19(29)21-13-10-20-25(11-13)12-26-17-6-4-3-5-15(17)23-24-26/h3-11H,12H2,1-2H3,(H2,21,22,29)