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

Systemtic Name: 3-[[5-(1-azanylpropyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 3-[[5-(1-aminopropyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 3-[[5-(1-aminopropyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 3-[[5-(1-aminopropyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 3-[[5-(1-aminopropyl)-4-benzyl-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2=CC=CC=C2)SCCC(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCC(C1=NN=C(N1CC2=CC=CC=C2)SCCC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C21H24N4OS/c1-2-18(22)20-23-24-21(25(20)15-16-9-5-3-6-10-16)27-14-13-19(26)17-11-7-4-8-12-17/h3-12,18H,2,13-15,22H2,1H3