2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methylquinoxaline IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylquinoxaline Traditional Name: 2-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-quinoxaline Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H21N5S/c1-15-20(24-19-10-6-5-9-18(19)23-15)14-28-22-26-25-21(17-11-12-17)27(22)13-16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3