4-[(3-phenethyl-5-propylsulfanyl-1,2,4-triazol-4-yl)methyl]aniline

Systemtic Name: 4-[(3-phenethyl-5-propylsulfanyl-1,2,4-triazol-4-yl)methyl]aniline Openeye Name: 4-[(3-phenethyl-5-propylsulfanyl-1,2,4-triazol-4-yl)methyl]aniline CAS Name: 4-[[3-phenethyl-5-(propylthio)-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[(3-phenethyl-5-propylsulfanyl-1,2,4-triazol-4-yl)methyl]aniline Traditional Name: [4-[[3-phenethyl-5-(propylthio)-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C20H24N4S MolecularWeight: 352.49636

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC2=CC=C(C=C2)N)CCC3=CC=CC=C3

Isomeric SMILES

CCCSC1=NN=C(N1CC2=CC=C(C=C2)N)CCC3=CC=CC=C3

InChI

InChI=1S/C20H24N4S/c1-2-14-25-20-23-22-19(13-10-16-6-4-3-5-7-16)24(20)15-17-8-11-18(21)12-9-17/h3-9,11-12H,2,10,13-15,21H2,1H3