3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline CAS Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]aniline IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline Traditional Name: [3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]amine Formula: C9H10N4S MolecularWeight: 206.2675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC(=C1)N)CSC2=NC=NN2

InChI

InChI=1S/C9H10N4S/c10-8-3-1-2-7(4-8)5-14-9-11-6-12-13-9/h1-4,6H,5,10H2,(H,11,12,13)