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

Systemtic Name: 3-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]-4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[(5-chloro-1-methyl-imidazol-2-yl)methylsulfanyl]-4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 3-[(5-chloro-1-methyl-2-imidazolyl)methylthio]-4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-[(5-chloro-1-methyl-imidazol-2-yl)methylthio]-4-(p-tolyl)-5-pyrrolidino-1,2,4-triazole Formula: C18H21ClN6S MolecularWeight: 388.91754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC=C(N3C)Cl)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC=C(N3C)Cl)N4CCCC4

InChI

InChI=1S/C18H21ClN6S/c1-13-5-7-14(8-6-13)25-17(24-9-3-4-10-24)21-22-18(25)26-12-16-20-11-15(19)23(16)2/h5-8,11H,3-4,9-10,12H2,1-2H3