methyl (4S)-6-azanyl-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)-2-thienyl]-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)-2-thiophenyl]-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)-2-thienyl]-4H-pyran-3-carboxylic acid methyl ester Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CS2)CN3C=NC=N3)C(=O)OC

Isomeric SMILES

CC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=CS2)CN3C=NC=N3)C(=O)OC

InChI

InChI=1S/C16H15N5O3S/c1-9-13(16(22)23-2)14(11(4-17)15(18)24-9)12-3-10(6-25-12)5-21-8-19-7-20-21/h3,6-8,14H,5,18H2,1-2H3/t14-/m1/s1