2-[5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[5-(m-tolylmethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(3-methylphenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[5-[(3-methylbenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]ethylamine Formula: C20H24N4S MolecularWeight: 352.49636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CCN

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CCN

InChI

InChI=1S/C20H24N4S/c1-16-6-5-9-18(14-16)15-25-20-23-22-19(10-12-21)24(20)13-11-17-7-3-2-4-8-17/h2-9,14H,10-13,15,21H2,1H3