3-[[4-azanyl-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylazanium

Systemtic Name: 3-[[4-azanyl-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[[4-amino-5-(3,4-dimethylbenzyl)-1,2,4-triazol-3-yl]thio]propylammonium Formula: C14H22N5S+ MolecularWeight: 292.42298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=NN=C(N2N)SCCC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=NN=C(N2N)SCCC[NH3+])C

InChI

InChI=1S/C14H21N5S/c1-10-4-5-12(8-11(10)2)9-13-17-18-14(19(13)16)20-7-3-6-15/h4-5,8H,3,6-7,9,15-16H2,1-2H3/p+1