4-cyclohexyl-3-phenyl-5-(4-pyrrolidin-1-ylbut-2-ynylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-phenyl-5-(4-pyrrolidin-1-ylbut-2-ynylsulfanyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-phenyl-5-(4-pyrrolidin-1-ylbut-2-ynylsulfanyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-phenyl-5-[4-(1-pyrrolidinyl)but-2-ynylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-phenyl-5-(4-pyrrolidin-1-ylbut-2-ynylsulfanyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-phenyl-5-(4-pyrrolidinobut-2-ynylthio)-1,2,4-triazole Formula: C22H28N4S MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC#CCN3CCCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC#CCN3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4S/c1-3-11-19(12-4-1)21-23-24-22(26(21)20-13-5-2-6-14-20)27-18-10-9-17-25-15-7-8-16-25/h1,3-4,11-12,20H,2,5-8,13-18H2