3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-isopropyl-1,2,4-triazole CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(1,3-diphenylpyrazol-4-yl)methylthio]-4-isopropyl-1,2,4-triazole Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5S/c1-16(2)25-15-22-23-21(25)27-14-18-13-26(19-11-7-4-8-12-19)24-20(18)17-9-5-3-6-10-17/h3-13,15-16H,14H2,1-2H3