2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C21H21N5S2 MolecularWeight: 407.55494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)N5CCCC5

InChI

InChI=1S/C21H21N5S2/c1-15-8-10-16(11-9-15)26-20(25-12-4-5-13-25)23-24-21(26)27-14-19-22-17-6-2-3-7-18(17)28-19/h2-3,6-11H,4-5,12-14H2,1H3