1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[2-(3-methylpyrazol-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[2-(3-methylpyrazol-1-yl)ethanoylamino]thiourea Openeye Name: 1-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-3-[1-(o-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-[[2-(3-methyl-1-pyrazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea Traditional Name: 1-[1-(2-methylbenzyl)pyrazol-4-yl]-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea Formula: C18H21N7OS MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CC(=O)NNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=NN(C=C1)CC(=O)NNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C18H21N7OS/c1-13-5-3-4-6-15(13)10-25-11-16(9-19-25)20-18(27)22-21-17(26)12-24-8-7-14(2)23-24/h3-9,11H,10,12H2,1-2H3,(H,21,26)(H2,20,22,27)