3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-4-cyclopropyl-5-(2-thenyl)-1,2,4-triazole Formula: C21H20ClN5S2 MolecularWeight: 442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NN=C(N2C3CC3)CC4=CC=CS4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1CSC2=NN=C(N2C3CC3)CC4=CC=CS4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C21H20ClN5S2/c1-14-18(20(22)27(25-14)16-6-3-2-4-7-16)13-29-21-24-23-19(26(21)15-9-10-15)12-17-8-5-11-28-17/h2-8,11,15H,9-10,12-13H2,1H3