(2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: (2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]propanamide CAS Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide IUPAC Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide Traditional Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-propionamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)SC2=NN=C(N2N)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)SC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C18H24N6O2S/c1-11-4-8-14(9-5-11)20-15(25)10-23(3)17(26)12(2)27-18-22-21-16(24(18)19)13-6-7-13/h4-5,8-9,12-13H,6-7,10,19H2,1-3H3,(H,20,25)/t12-/m0/s1