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

Systemtic Name: 4-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[[4-(1-pyrazolyl)phenyl]methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[(4-pyrazol-1-ylbenzyl)thio]-5-(2-thenyl)-1,2,4-triazole Formula: C20H19N5S2 MolecularWeight: 393.52836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)CC5=CC=CS5

InChI

InChI=1S/C20H19N5S2/c1-3-18(26-12-1)13-19-22-23-20(25(19)17-8-9-17)27-14-15-4-6-16(7-5-15)24-11-2-10-21-24/h1-7,10-12,17H,8-9,13-14H2