N-ethyl-4-[3-heptadecyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]aniline

Systemtic Name: N-ethyl-4-[3-heptadecyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]aniline Openeye Name: 4-(3-benzylsulfanyl-5-heptadecyl-1,2,4-triazol-4-yl)-N-ethyl-aniline CAS Name: N-ethyl-4-[3-heptadecyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]aniline IUPAC Name: 4-(3-benzylsulfanyl-5-heptadecyl-1,2,4-triazol-4-yl)-N-ethylaniline Traditional Name: [4-[3-(benzylthio)-5-heptadecyl-1,2,4-triazol-4-yl]phenyl]-ethyl-amine Formula: C34H52N4S MolecularWeight: 548.86848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN=C(N1C2=CC=C(C=C2)NCC)SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN=C(N1C2=CC=C(C=C2)NCC)SCC3=CC=CC=C3

InChI

InChI=1S/C34H52N4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33-36-37-34(39-29-30-22-19-18-20-23-30)38(33)32-27-25-31(26-28-32)35-4-2/h18-20,22-23,25-28,35H,3-17,21,24,29H2,1-2H3