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

Systemtic Name: 4-[[3-(3-phenylpropyl)-5-propylsulfanyl-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[[3-(3-phenylpropyl)-5-propylsulfanyl-1,2,4-triazol-4-yl]methyl]aniline CAS Name: 4-[[3-(3-phenylpropyl)-5-(propylthio)-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[[3-(3-phenylpropyl)-5-propylsulfanyl-1,2,4-triazol-4-yl]methyl]aniline Traditional Name: [4-[[3-(3-phenylpropyl)-5-(propylthio)-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC2=CC=C(C=C2)N)CCCC3=CC=CC=C3

Isomeric SMILES

CCCSC1=NN=C(N1CC2=CC=C(C=C2)N)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4S/c1-2-15-26-21-24-23-20(10-6-9-17-7-4-3-5-8-17)25(21)16-18-11-13-19(22)14-12-18/h3-5,7-8,11-14H,2,6,9-10,15-16,22H2,1H3