2-[4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)ethanamine CAS Name: 2-[4-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)ethanamine Traditional Name: 2-[4-benzyl-5-(benzylthio)-1,2,4-triazol-3-yl]ethylamine Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)CCN

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)CCN

InChI

InChI=1S/C18H20N4S/c19-12-11-17-20-21-18(23-14-16-9-5-2-6-10-16)22(17)13-15-7-3-1-4-8-15/h1-10H,11-14,19H2