3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C15H18N5O3S- MolecularWeight: 348.40012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=NC3=NC=NN3)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C15H19N5O3S/c21-14(18-15-16-11-17-19-15)8-5-12-3-6-13(7-4-12)24(22,23)20-9-1-2-10-20/h3-4,6-7,11H,1-2,5,8-10H2,(H2,16,17,18,19,21)/p-1