1-(2,1,3-benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(2,1,3-benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(2,1,3-benzoxadiazol-4-yl)-3-[1-(o-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(2,1,3-benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(2,1,3-benzoxadiazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-benzofurazan-4-yl-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=CC=CC4=NON=C43

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=CC=CC4=NON=C43

InChI

InChI=1S/C18H16N6OS/c1-12-5-2-3-6-13(12)10-24-11-14(9-19-24)20-18(26)21-15-7-4-8-16-17(15)23-25-22-16/h2-9,11H,10H2,1H3,(H2,20,21,26)