(3R)-N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-butan-1-amine

Systemtic Name: (3R)-N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-butan-1-amine Openeye Name: (3R)-N-methyl-N-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-butan-1-amine CAS Name: (3R)-N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-3-phenyl-1-butanamine IUPAC Name: (3R)-N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-phenylbutan-1-amine Traditional Name: methyl-[[4-methyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-[(3R)-3-phenylbutyl]amine Formula: C21H27N5S MolecularWeight: 381.53758

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(C)CC1=NN=C(N1C)SCC2=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CCN(C)CC1=NN=C(N1C)SCC2=CC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5S/c1-17(19-7-5-4-6-8-19)11-14-25(2)15-20-23-24-21(26(20)3)27-16-18-9-12-22-13-10-18/h4-10,12-13,17H,11,14-16H2,1-3H3/t17-/m1/s1