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

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)methyl-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C14H16N6S MolecularWeight: 300.38204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)SC3=NC=NN3

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)SC3=NC=NN3

InChI

InChI=1S/C14H16N6S/c1-9-13(10(2)19-18-9)7-15-11-3-5-12(6-4-11)21-14-16-8-17-20-14/h3-6,8,15H,7H2,1-2H3,(H,18,19)(H,16,17,20)