4-methyl-3-[(3-methylphenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(3-methylphenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[(1-methylpyrrol-2-yl)methyl]-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(3-methylphenyl)methylthio]-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(3-methylphenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(3-methylbenzyl)thio]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C)CC3=CC=CN3C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C)CC3=CC=CN3C

InChI

InChI=1S/C17H20N4S/c1-13-6-4-7-14(10-13)12-22-17-19-18-16(21(17)3)11-15-8-5-9-20(15)2/h4-10H,11-12H2,1-3H3