2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-quinoxaline

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-quinoxaline Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3-methylquinoxaline IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylquinoxaline Traditional Name: 2-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-quinoxaline Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3CC=C)C4CCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3CC=C)C4CCCCC4

InChI

InChI=1S/C21H25N5S/c1-3-13-26-20(16-9-5-4-6-10-16)24-25-21(26)27-14-19-15(2)22-17-11-7-8-12-18(17)23-19/h3,7-8,11-12,16H,1,4-6,9-10,13-14H2,2H3