(2R)-3-azanyl-2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-3-enenitrile

Systemtic Name: (2R)-3-azanyl-2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-3-enenitrile Openeye Name: (2R)-2-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-amino-but-3-enenitrile CAS Name: (2R)-3-amino-2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-butenenitrile IUPAC Name: (2R)-3-amino-2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-3-enenitrile Traditional Name: (2R)-2-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]-3-amino-but-3-enenitrile Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C(C#N)C(=C)N)C2CCCCC2

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)[C@@H](C#N)C(=C)N)C2CCCCC2

InChI

InChI=1S/C17H23N5OS/c1-3-9-22-16(13-7-5-4-6-8-13)20-21-17(22)24-11-15(23)14(10-18)12(2)19/h3,13-14H,1-2,4-9,11,19H2/t14-/m0/s1