4-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole

Systemtic Name: 4-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 4-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 4-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylthio]-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 4-(3-chlorophenyl)-3-(p-anisylthio)-5-pyrrolidino-1,2,4-triazole Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)N4CCCC4

InChI

InChI=1S/C20H21ClN4OS/c1-26-18-9-7-15(8-10-18)14-27-20-23-22-19(24-11-2-3-12-24)25(20)17-6-4-5-16(21)13-17/h4-10,13H,2-3,11-12,14H2,1H3