1-(3-azanyl-5-butylsulfanyl-1,2,4-triazol-4-yl)-3-(3,4-dimethoxyphenyl)propan-1-one

Systemtic Name: 1-(3-azanyl-5-butylsulfanyl-1,2,4-triazol-4-yl)-3-(3,4-dimethoxyphenyl)propan-1-one Openeye Name: 1-(3-amino-5-butylsulfanyl-1,2,4-triazol-4-yl)-3-(3,4-dimethoxyphenyl)propan-1-one CAS Name: 1-[3-amino-5-(butylthio)-1,2,4-triazol-4-yl]-3-(3,4-dimethoxyphenyl)-1-propanone IUPAC Name: 1-(3-amino-5-butylsulfanyl-1,2,4-triazol-4-yl)-3-(3,4-dimethoxyphenyl)propan-1-one Traditional Name: 1-[3-amino-5-(butylthio)-1,2,4-triazol-4-yl]-3-(3,4-dimethoxyphenyl)propan-1-one Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C(=O)CCC2=CC(=C(C=C2)OC)OC)N

Isomeric SMILES

CCCCSC1=NN=C(N1C(=O)CCC2=CC(=C(C=C2)OC)OC)N

InChI

InChI=1S/C17H24N4O3S/c1-4-5-10-25-17-20-19-16(18)21(17)15(22)9-7-12-6-8-13(23-2)14(11-12)24-3/h6,8,11H,4-5,7,9-10H2,1-3H3,(H2,18,19)