4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]aniline

Systemtic Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]aniline Openeye Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]aniline CAS Name: 4-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]aniline IUPAC Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]aniline Traditional Name: [4-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]amine Formula: C12H14N4S MolecularWeight: 246.33136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=CC=C(C=C3)N

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=CC=C(C=C3)N

InChI

InChI=1S/C12H14N4S/c13-10-5-1-8(2-6-10)7-17-12-14-11(15-16-12)9-3-4-9/h1-2,5-6,9H,3-4,7,13H2,(H,14,15,16)