4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C18H18N5O3S- MolecularWeight: 384.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=NC3=NC=NN3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=NC3=NC=NN3)[O-])C

InChI

InChI=1S/C18H19N5O3S/c1-12-3-8-16(9-13(12)2)27(25,26)21-10-14-4-6-15(7-5-14)17(24)22-18-19-11-20-23-18/h3-9,11,21H,10H2,1-2H3,(H2,19,20,22,23,24)/p-1