1-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-phenyl-thiourea

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-phenyl-thiourea CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-5-methyl-1,2,4-triazol-4-yl]-3-phenylthiourea IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-phenylthiourea Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-3-phenyl-thiourea Formula: C15H17N7S MolecularWeight: 327.40738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(N2NC(=S)NC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(N2NC(=S)NC3=CC=CC=C3)C)C

InChI

InChI=1S/C15H17N7S/c1-10-9-11(2)21(19-10)15-18-17-12(3)22(15)20-14(23)16-13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,16,20,23)