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

Systemtic Name: 3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)N5CCCC5

InChI

InChI=1S/C21H21N7OS/c1-15-8-10-16(11-9-15)28-20(26-12-4-5-13-26)23-24-21(28)30-14-27-19(29)17-6-2-3-7-18(17)22-25-27/h2-3,6-11H,4-5,12-14H2,1H3