2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(diethylamino)phenyl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(diethylamino)phenyl]ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(diethylamino)phenyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[4-(diethylamino)phenyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(diethylamino)phenyl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-[4-(diethylamino)phenyl]acetamide Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C21H30N6OS/c1-3-25(4-2)17-9-7-16(8-10-17)22-19(28)15-29-21-24-23-20(26-13-5-6-14-26)27(21)18-11-12-18/h7-10,18H,3-6,11-15H2,1-2H3,(H,22,28)