5-methylsulfanyl-N,4-bis(phenylmethyl)-1,2,4-triazol-3-amine

Systemtic Name: 5-methylsulfanyl-N,4-bis(phenylmethyl)-1,2,4-triazol-3-amine Openeye Name: N,4-dibenzyl-5-methylsulfanyl-1,2,4-triazol-3-amine CAS Name: 5-(methylthio)-N,4-bis(phenylmethyl)-1,2,4-triazol-3-amine IUPAC Name: N,4-dibenzyl-5-methylsulfanyl-1,2,4-triazol-3-amine Traditional Name: benzyl-[4-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]amine Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C17H18N4S/c1-22-17-20-19-16(18-12-14-8-4-2-5-9-14)21(17)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,18,19)