2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide

Systemtic Name: 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: 2-[[5-(3-amino-3-oxo-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-propanamide CAS Name: 2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)propanamide IUPAC Name: 2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-benzylpropanamide Traditional Name: 2-[[5-(3-amino-3-keto-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-benzyl-propionamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2C3CC3)CCC(=O)N

InChI

InChI=1S/C18H23N5O2S/c1-12(17(25)20-11-13-5-3-2-4-6-13)26-18-22-21-16(10-9-15(19)24)23(18)14-7-8-14/h2-6,12,14H,7-11H2,1H3,(H2,19,24)(H,20,25)