3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole Openeye Name: 3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole CAS Name: 3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-4-phenyl-5-(prop-2-ynylthio)-1,2,4-triazole IUPAC Name: 3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole Traditional Name: 3-[5-tert-butyl-2-(2,4-dichlorobenzyl)pyrazol-3-yl]-4-phenyl-5-(propargylthio)-1,2,4-triazole Formula: C25H23Cl2N5S MolecularWeight: 496.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC#C)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC#C)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H23Cl2N5S/c1-5-13-33-24-29-28-23(32(24)19-9-7-6-8-10-19)21-15-22(25(2,3)4)30-31(21)16-17-11-12-18(26)14-20(17)27/h1,6-12,14-15H,13,16H2,2-4H3