N-[(1S)-1-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide

Systemtic Name: N-[(1S)-1-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide Openeye Name: N-[(1S)-1-[4-allyl-5-(2-amino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide CAS Name: N-[(1S)-1-[5-[(2-amino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide IUPAC Name: N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide Traditional Name: N-[(1S)-1-[4-allyl-5-[(2-amino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=C(N1CC=C)SCC(=O)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C1=NN=C(N1CC=C)SCC(=O)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23N5O2S/c1-4-10-23-16(21-22-18(23)26-11-14(19)24)15(12(2)3)20-17(25)13-8-6-5-7-9-13/h4-9,12,15H,1,10-11H2,2-3H3,(H2,19,24)(H,20,25)/t15-/m0/s1