4-(3-methoxyphenyl)-3-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(3-methoxyphenyl)-3-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(3-methoxyphenyl)-3-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 4-(3-methoxyphenyl)-3-methyl-5-[2-(1-pyrrolidinyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-(3-methoxyphenyl)-3-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 4-(3-methoxyphenyl)-3-methyl-5-(2-pyrrolidinoethylthio)-1,2,4-triazole Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)OC)SCCN3CCCC3

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)OC)SCCN3CCCC3

InChI

InChI=1S/C16H22N4OS/c1-13-17-18-16(22-11-10-19-8-3-4-9-19)20(13)14-6-5-7-15(12-14)21-2/h5-7,12H,3-4,8-11H2,1-2H3