3-(3-azanylpropylsulfanyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(3-azanylpropylsulfanyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Openeye Name: 3-(3-aminopropylsulfanyl)-5-(1-naphthylmethyl)-1,2,4-triazol-4-amine CAS Name: 3-(3-aminopropylthio)-5-(1-naphthalenylmethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(3-aminopropylsulfanyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Traditional Name: 3-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]propylamine Formula: C16H19N5S MolecularWeight: 313.42056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCCN

InChI

InChI=1S/C16H19N5S/c17-9-4-10-22-16-20-19-15(21(16)18)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11,17-18H2