2-phenyl-4-[4-(phenylmethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]pyrazol-3-amine

Systemtic Name: 2-phenyl-4-[4-(phenylmethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]pyrazol-3-amine Openeye Name: 4-(4-benzyl-5-isopropylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-pyrazol-3-amine CAS Name: 2-phenyl-4-[4-(phenylmethyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]-3-pyrazolamine IUPAC Name: 4-(4-benzyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)-2-phenylpyrazol-3-amine Traditional Name: [4-[4-benzyl-5-(isopropylthio)-1,2,4-triazol-3-yl]-2-phenyl-pyrazol-3-yl]amine Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=C(N(N=C3)C4=CC=CC=C4)N

Isomeric SMILES

CC(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=C(N(N=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C21H22N6S/c1-15(2)28-21-25-24-20(26(21)14-16-9-5-3-6-10-16)18-13-23-27(19(18)22)17-11-7-4-8-12-17/h3-13,15H,14,22H2,1-2H3