1-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]-4-methyl-piperidine

Systemtic Name: 1-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]-4-methyl-piperidine Openeye Name: 1-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]-4-methyl-piperidine CAS Name: 1-[5-[(3-bromophenyl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]-4-methylpiperidine IUPAC Name: 1-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]-4-methylpiperidine Traditional Name: 1-[5-[(3-bromobenzyl)thio]-4-cyclopropyl-1,2,4-triazol-3-yl]-4-methyl-piperidine Formula: C18H23BrN4S MolecularWeight: 407.37102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C18H23BrN4S/c1-13-7-9-22(10-8-13)17-20-21-18(23(17)16-5-6-16)24-12-14-3-2-4-15(19)11-14/h2-4,11,13,16H,5-10,12H2,1H3