1-phenyl-N3-(thiophen-2-ylmethyl)-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-phenyl-N3-(thiophen-2-ylmethyl)-1,2,4-triazole-3,5-diamine Openeye Name: 1-phenyl-N3-(2-thienylmethyl)-1,2,4-triazole-3,5-diamine CAS Name: 1-phenyl-N3-(thiophen-2-ylmethyl)-1,2,4-triazole-3,5-diamine IUPAC Name: 1-phenyl-3-N-(thiophen-2-ylmethyl)-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1-phenyl-1,2,4-triazol-3-yl)-(2-thenyl)amine Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)NCC3=CC=CS3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)NCC3=CC=CS3)N

InChI

InChI=1S/C13H13N5S/c14-12-16-13(15-9-11-7-4-8-19-11)17-18(12)10-5-2-1-3-6-10/h1-8H,9H2,(H3,14,15,16,17)