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

Systemtic Name: 3,4-diphenyl-5-(4-pyrrolidin-1-ylbut-2-ynylsulfanyl)-1,2,4-triazole Openeye Name: 3,4-diphenyl-5-(4-pyrrolidin-1-ylbut-2-ynylsulfanyl)-1,2,4-triazole CAS Name: 3,4-diphenyl-5-[4-(1-pyrrolidinyl)but-2-ynylthio]-1,2,4-triazole IUPAC Name: 3,4-diphenyl-5-(4-pyrrolidin-1-ylbut-2-ynylsulfanyl)-1,2,4-triazole Traditional Name: 3,4-diphenyl-5-(4-pyrrolidinobut-2-ynylthio)-1,2,4-triazole Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC#CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4S/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/h1-6,11-14H,7-8,15-18H2