4-(4-cyclopropyl-5-dodecan-2-ylsulfanyl-1,2,4-triazol-3-yl)aniline

Systemtic Name: 4-(4-cyclopropyl-5-dodecan-2-ylsulfanyl-1,2,4-triazol-3-yl)aniline Openeye Name: 4-[4-cyclopropyl-5-(1-methylundecylsulfanyl)-1,2,4-triazol-3-yl]aniline CAS Name: 4-[4-cyclopropyl-5-(dodecan-2-ylthio)-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-(4-cyclopropyl-5-dodecan-2-ylsulfanyl-1,2,4-triazol-3-yl)aniline Traditional Name: [4-[4-cyclopropyl-5-(1-methylundecylthio)-1,2,4-triazol-3-yl]phenyl]amine Formula: C23H36N4S MolecularWeight: 400.62374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC1=NN=C(N1C2CC2)C3=CC=C(C=C3)N

Isomeric SMILES

CCCCCCCCCCC(C)SC1=NN=C(N1C2CC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C23H36N4S/c1-3-4-5-6-7-8-9-10-11-18(2)28-23-26-25-22(27(23)21-16-17-21)19-12-14-20(24)15-13-19/h12-15,18,21H,3-11,16-17,24H2,1-2H3