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

Systemtic Name: [4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C15H18N4OS/c1-11-16-15(18-17-11)21-10-12-4-6-13(7-5-12)14(20)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,16,17,18)