N-[[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]aniline

Systemtic Name: N-[[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: N-[(4-allyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)methyl]aniline CAS Name: N-[[5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]aniline Traditional Name: [4-allyl-5-(benzylthio)-1,2,4-triazol-3-yl]methyl-phenyl-amine Formula: C19H20N4S MolecularWeight: 336.4539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2)CNC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)CNC3=CC=CC=C3

InChI

InChI=1S/C19H20N4S/c1-2-13-23-18(14-20-17-11-7-4-8-12-17)21-22-19(23)24-15-16-9-5-3-6-10-16/h2-12,20H,1,13-15H2