(2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide

Systemtic Name: (2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide Openeye Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide CAS Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(9-ethyl-3-carbazolyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide Traditional Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(9-ethylcarbazol-3-yl)propionamide Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)SC3=NN=C(N3N)C4CC4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)SC3=NN=C(N3N)C4CC4)C5=CC=CC=C51

InChI

InChI=1S/C22H24N6OS/c1-3-27-18-7-5-4-6-16(18)17-12-15(10-11-19(17)27)24-21(29)13(2)30-22-26-25-20(28(22)23)14-8-9-14/h4-7,10-14H,3,8-9,23H2,1-2H3,(H,24,29)/t13-/m0/s1