1-(1,3-benzodioxol-5-yl)-3-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(1-benzyl-4-chloro-pyrazol-3-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(1-benzyl-4-chloropyrazol-3-yl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(1-benzyl-4-chloro-pyrazol-3-yl)thiourea Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=NN(C=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=NN(C=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C18H15ClN4O2S/c19-14-10-23(9-12-4-2-1-3-5-12)22-17(14)21-18(26)20-13-6-7-15-16(8-13)25-11-24-15/h1-8,10H,9,11H2,(H2,20,21,22,26)