3-[[5-(1-azanylpropyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 3-[[5-(1-azanylpropyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 3-[[5-(1-aminopropyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 3-[[5-(1-aminopropyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 3-[[5-(1-aminopropyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 3-[[5-(1-aminopropyl)-4-isobutyl-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC(C)C)SCCC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCC(C1=NN=C(N1CC(C)C)SCCC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C18H26N4OS/c1-4-15(19)17-20-21-18(22(17)12-13(2)3)24-11-10-16(23)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12,19H2,1-3H3