2-[[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]-phenyl-amino]ethanethiol

Systemtic Name: 2-[[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]-phenyl-amino]ethanethiol Openeye Name: 2-(N-[5-(p-tolyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]anilino)ethanethiol CAS Name: 2-(N-[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]anilino)ethanethiol IUPAC Name: 2-(N-[5-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]anilino)ethanethiol Traditional Name: 2-(N-[5-(p-tolyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]anilino)ethanethiol Formula: C20H20N6S MolecularWeight: 376.478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NN2)N(CCS)C3=CC=CC=C3)N4C=NC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NN2)N(CCS)C3=CC=CC=C3)N4C=NC=N4

InChI

InChI=1S/C20H20N6S/c1-15-7-9-16(10-8-15)18-19(26-14-21-13-22-26)20(24-23-18)25(11-12-27)17-5-3-2-4-6-17/h2-10,13-14,27H,11-12H2,1H3,(H,23,24)