N-[(4-methyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]aniline

Systemtic Name: N-[(4-methyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]aniline Openeye Name: N-[(5-isopropylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]aniline CAS Name: N-[[4-methyl-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[(4-methyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]aniline Traditional Name: [5-(isopropylthio)-4-methyl-1,2,4-triazol-3-yl]methyl-phenyl-amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C)CNC2=CC=CC=C2

Isomeric SMILES

CC(C)SC1=NN=C(N1C)CNC2=CC=CC=C2

InChI

InChI=1S/C13H18N4S/c1-10(2)18-13-16-15-12(17(13)3)9-14-11-7-5-4-6-8-11/h4-8,10,14H,9H2,1-3H3