4-[(4-methylphenyl)methyl]-3-prop-2-enylsulfanyl-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 4-[(4-methylphenyl)methyl]-3-prop-2-enylsulfanyl-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-(p-tolylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-[(4-methylphenyl)methyl]-3-(prop-2-enylthio)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-[(4-methylphenyl)methyl]-3-prop-2-enylsulfanyl-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-(allylthio)-4-(4-methylbenzyl)-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SCC=C)C3CCCN3

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC=C)C3CCCN3

InChI

InChI=1S/C17H22N4S/c1-3-11-22-17-20-19-16(15-5-4-10-18-15)21(17)12-14-8-6-13(2)7-9-14/h3,6-9,15,18H,1,4-5,10-12H2,2H3