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

Systemtic Name: [4-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H23N5OS/c1-15-4-8-17(9-5-15)19-23-24-21(26(19)22)28-14-16-6-10-18(11-7-16)20(27)25-12-2-3-13-25/h4-11H,2-3,12-14,22H2,1H3