3-cyclopropyl-4-(phenylmethyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-4-(phenylmethyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-4-(phenylmethyl)-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C22H21N5S/c1-2-5-17(6-3-1)15-26-21(19-9-10-19)24-25-22(26)28-16-18-7-11-20(12-8-18)27-14-4-13-23-27/h1-8,11-14,19H,9-10,15-16H2