3-(3-azanylpropylsulfanyl)-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(3-azanylpropylsulfanyl)-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-aminopropylsulfanyl)-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-aminopropylthio)-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-aminopropylsulfanyl)-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine Traditional Name: 3-[[4-amino-5-(2,5-dimethylbenzyl)-1,2,4-triazol-3-yl]thio]propylamine Formula: C14H21N5S MolecularWeight: 291.41504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=NN=C(N2N)SCCCN

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=NN=C(N2N)SCCCN

InChI

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